 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer07_STD_M11_augccpVDZ.in
 Output=31_naproxen_conformer07_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-15664.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     15683.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer07_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:17:52 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer07_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.647466000000     -0.507821000000     -0.190768000000
  C                                                -1.077854000000      0.848890000000     -0.283737000000
  C                                                 0.729812000000     -0.810631000000     -0.325382000000
  C                                                 1.666014000000      0.171296000000     -0.544574000000
  C                                                 1.224426000000      1.518888000000     -0.634141000000
  C                                                -0.095519000000      1.847305000000     -0.510964000000
  C                                                -1.620346000000     -1.504235000000      0.030174000000
  H                                                 1.028417000000     -1.849396000000     -0.262480000000
  H                                                 1.958991000000      2.296811000000     -0.804780000000
  H                                                -0.409397000000      2.880973000000     -0.586908000000
  C                                                 3.149491000000     -0.109147000000     -0.638141000000
  C                                                 3.513374000000     -1.523377000000     -1.111890000000
  C                                                 3.892002000000      0.146002000000      0.683653000000
  H                                                 3.589494000000      0.601618000000     -1.339688000000
  H                                                 3.036271000000     -1.735553000000     -2.068831000000
  H                                                 3.199758000000     -2.284180000000     -0.395852000000
  H                                                 4.592748000000     -1.602696000000     -1.229908000000
  O                                                 5.062060000000      0.400852000000      0.731679000000
  O                                                 3.167488000000      0.013457000000      1.815440000000
  H                                                 2.235282000000     -0.131723000000      1.586956000000
  C                                                -2.950314000000     -1.190901000000      0.157052000000
  C                                                -3.370558000000      0.155926000000      0.065064000000
  C                                                -2.444381000000      1.152719000000     -0.152345000000
  O                                                -4.667931000000      0.545168000000      0.179928000000
  C                                                -5.662349000000     -0.440795000000      0.404455000000
  H                                                -1.305354000000     -2.538205000000      0.101013000000
  H                                                -3.668320000000     -1.978990000000      0.326462000000
  H                                                -2.783917000000      2.177944000000     -0.220901000000
  H                                                -5.493272000000     -0.973311000000      1.344574000000
  H                                                -5.705913000000     -1.160181000000     -0.418101000000
  H                                                -6.605720000000      0.096347000000      0.461347000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 21:17:53 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.647466   -0.507821   -0.190768
      2          6           0       -1.077854    0.848890   -0.283737
      3          6           0        0.729812   -0.810631   -0.325382
      4          6           0        1.666014    0.171296   -0.544574
      5          6           0        1.224426    1.518888   -0.634141
      6          6           0       -0.095519    1.847305   -0.510964
      7          6           0       -1.620346   -1.504235    0.030174
      8          1           0        1.028417   -1.849396   -0.262480
      9          1           0        1.958991    2.296811   -0.804780
     10          1           0       -0.409397    2.880973   -0.586908
     11          6           0        3.149491   -0.109147   -0.638141
     12          6           0        3.513374   -1.523377   -1.111890
     13          6           0        3.892002    0.146002    0.683653
     14          1           0        3.589494    0.601618   -1.339688
     15          1           0        3.036271   -1.735553   -2.068831
     16          1           0        3.199758   -2.284180   -0.395852
     17          1           0        4.592748   -1.602696   -1.229908
     18          8           0        5.062060    0.400852    0.731679
     19          8           0        3.167488    0.013457    1.815440
     20          1           0        2.235282   -0.131723    1.586956
     21          6           0       -2.950314   -1.190901    0.157052
     22          6           0       -3.370558    0.155926    0.065064
     23          6           0       -2.444381    1.152719   -0.152345
     24          8           0       -4.667931    0.545168    0.179928
     25          6           0       -5.662349   -0.440795    0.404455
     26          1           0       -1.305354   -2.538205    0.101013
     27          1           0       -3.668320   -1.978990    0.326462
     28          1           0       -2.783917    2.177944   -0.220901
     29          1           0       -5.493272   -0.973311    1.344574
     30          1           0       -5.705913   -1.160181   -0.418101
     31          1           0       -6.605720    0.096347    0.461347
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.426374   0.000000
     3  C    1.416584   2.454262   0.000000
     4  C    2.436918   2.838306   1.374300   0.000000
     5  C    2.794299   2.423257   2.401382   1.420924   0.000000
     6  C    2.440039   1.418960   2.789307   2.431694   1.365754
     7  C    1.410018   2.435166   2.476035   3.733350   4.203964
     8  H    2.147918   3.423095   1.082661   2.137593   3.394391
     9  H    3.877704   3.404466   3.375929   2.161332   1.083452
    10  H    3.420165   2.160581   3.872226   3.413425   2.127648
    11  C    3.843952   4.349009   2.538650   1.512649   2.521188
    12  C    4.380914   5.233819   2.979063   2.570312   3.837044
    13  C    4.668926   5.111689   3.454380   2.542480   3.276791
    14  H    4.527991   4.791692   3.346796   2.125361   2.633007
    15  H    4.313278   5.176092   3.035597   2.799471   3.991554
    16  H    4.242481   5.303458   2.876968   2.898940   4.292091
    17  H    5.453293   6.249899   4.045715   3.490344   4.630855
    18  O    5.854510   6.239419   4.620978   3.635195   4.224086
    19  O    4.341713   4.809098   3.347313   2.801607   3.470196
    20  H    3.407637   3.929117   2.526736   2.226950   2.946119
    21  C    2.427074   2.803774   3.731042   4.863984   5.039583
    22  C    2.814470   2.420403   4.230805   5.073357   4.843597
    23  C    2.446993   1.406048   3.736333   4.244100   3.718380
    24  O    4.172570   3.632614   5.588306   6.386199   6.027496
    25  C    5.050528   4.811911   6.444312   7.414865   7.235103
    26  H    2.154162   3.416460   2.703373   4.072739   4.837380
    27  H    3.399621   3.883267   4.597122   5.817005   6.090720
    28  H    3.432006   2.163558   4.613977   4.892166   4.083128
    29  H    5.104487   5.046556   6.445308   7.492288   7.433292
    30  H    5.105403   5.047113   6.445878   7.492272   7.433282
    31  H    6.024206   5.628390   7.433141   8.333011   8.033362
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.721659   0.000000
     8  H    3.871766   2.687141   0.000000
     9  H    2.123534   5.287415   4.283817   0.000000
    10  H    1.082939   4.590995   4.954690   2.449076   0.000000
    11  C    3.791302   5.014405   2.769213   2.689553   4.648562
    12  C    4.974607   5.259254   2.646280   4.135730   5.921321
    13  C    4.496873   5.791053   3.616200   3.252375   5.253230
    14  H    3.977165   5.783906   3.704992   2.412125   4.664040
    15  H    5.007188   5.113063   2.703210   4.360999   5.948196
    16  H    5.285950   4.901348   2.218456   4.763633   6.304071
    17  H    5.865086   6.340350   3.701518   4.724782   6.748199
    18  O    5.498819   6.983983   4.724642   3.947709   6.150326
    19  O    4.407082   5.330471   3.516191   3.679636   5.175715
    20  H    3.708160   4.378724   2.797738   3.419724   4.560301
    21  C    4.222179   1.372258   4.054618   6.098404   4.856943
    22  C    3.730744   2.412591   4.845573   5.808968   4.076693
    23  C    2.475522   2.787786   4.591857   4.596118   2.704971
    24  O    4.804149   3.675630   6.195001   6.924883   4.917228
    25  C    6.087938   4.196282   6.869884   8.187891   6.293683
    26  H    4.590307   1.083205   2.460299   5.903710   5.535654
    27  H    5.301577   2.123058   4.735292   7.157431   5.922336
    28  H    2.724141   3.869803   5.545727   4.780190   2.503309
    29  H    6.366682   4.124207   6.773668   8.417223   6.665727
    30  H    6.366327   4.124461   6.771295   8.417308   6.664271
    31  H    6.811311   5.253735   7.911377   8.933051   6.873674
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.535218   0.000000
    13  C    1.537388   2.480758   0.000000
    14  H    1.091310   2.138525   2.095950   0.000000
    15  H    2.169076   1.090129   3.442193   2.509995   0.000000
    16  H    2.189064   1.090819   2.747784   3.061136   1.768213
    17  H    2.159599   1.088700   2.685276   2.424370   1.773151
    18  O    2.407161   3.082180   1.198453   2.549376   4.063361
    19  O    2.456708   3.324268   1.350345   3.237106   4.261903
    20  H    2.405690   3.294539   1.907304   3.307102   4.071687
    21  C    6.245810   6.595454   6.991560   6.944238   6.410179
    22  C    6.563216   7.182882   7.288863   7.114372   7.012750
    23  C    5.754972   6.601292   6.470094   6.174232   6.484796
    24  O    7.887297   8.537062   8.584027   8.396278   8.343461
    25  C    8.879500   9.362968   9.576424   9.472342   9.135619
    26  H    5.127603   5.071602   5.878516   5.991131   4.919571
    27  H    7.135077   7.338472   7.861402   7.881082   7.123779
    28  H    6.372614   7.358635   7.036683   6.660094   7.252923
    29  H    8.909281   9.351816   9.474864   9.601161   9.218755
    30  H    8.920273   9.252487   9.748843   9.505675   8.915253
    31  H    9.819126  10.367962  10.500193  10.365395  10.135366
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.760821   0.000000
    18  O    3.456717   2.842935   0.000000
    19  O    3.189042   3.730611   2.216758   0.000000
    20  H    3.081365   3.956783   3.000968   0.970716   0.000000
    21  C    6.270913   7.680561   8.189140   6.451994   5.482416
    22  C    7.023931   8.257357   8.462471   6.769798   5.815870
    23  C    6.612706   7.633783   7.595621   6.055012   5.155017
    24  O    8.380767   9.610470   9.746691   8.021933   7.077588
    25  C    9.087106  10.449314  10.762360   8.953393   7.991646
    26  H    4.539542   6.118344   7.041289   5.427389   4.531588
    27  H    6.912697   8.414816   9.058001   7.274282   6.312983
    28  H    7.466293   8.350241   8.100915   6.652136   5.813370
    29  H    8.961932  10.428417  10.662035   8.729501   7.778018
    30  H    8.976349  10.340081  10.941118   9.225149   8.254729
    31  H   10.126653  11.452195  11.674883   9.866916   8.915286
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.413863   0.000000
    23  C    2.417488   1.377921   0.000000
    24  O    2.442267   1.359367   2.328883   0.000000
    25  C    2.824713   2.392398   3.633818   1.418239   0.000000
    26  H    2.127031   3.394805   3.870981   4.562931   4.845060
    27  H    1.079498   2.171372   3.396304   2.718836   2.519579
    28  H    3.394061   2.124731   1.082160   2.525100   3.941349
    29  H    2.814994   2.723644   4.007057   2.084075   1.093611
    30  H    2.815150   2.723870   4.007209   2.084049   1.093624
    31  H    3.887364   3.259887   4.336967   2.008896   1.087064
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.438679   0.000000
    28  H    4.952963   4.285076   0.000000
    29  H    4.640474   2.319136   4.440915   0.000000
    30  H    4.640404   2.318751   4.440724   1.785262   0.000000
    31  H    5.929973   3.599102   4.405075   1.778145   1.778186
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.58D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.647466   -0.507821   -0.190768
      2          6           0       -1.077854    0.848890   -0.283737
      3          6           0        0.729812   -0.810631   -0.325382
      4          6           0        1.666014    0.171296   -0.544574
      5          6           0        1.224426    1.518888   -0.634141
      6          6           0       -0.095519    1.847305   -0.510964
      7          6           0       -1.620346   -1.504235    0.030174
      8          1           0        1.028417   -1.849396   -0.262480
      9          1           0        1.958991    2.296811   -0.804780
     10          1           0       -0.409397    2.880973   -0.586908
     11          6           0        3.149491   -0.109147   -0.638141
     12          6           0        3.513374   -1.523377   -1.111890
     13          6           0        3.892002    0.146002    0.683653
     14          1           0        3.589494    0.601618   -1.339688
     15          1           0        3.036271   -1.735553   -2.068831
     16          1           0        3.199758   -2.284180   -0.395852
     17          1           0        4.592748   -1.602696   -1.229908
     18          8           0        5.062060    0.400852    0.731679
     19          8           0        3.167488    0.013457    1.815440
     20          1           0        2.235282   -0.131723    1.586956
     21          6           0       -2.950314   -1.190901    0.157052
     22          6           0       -3.370558    0.155926    0.065064
     23          6           0       -2.444381    1.152719   -0.152345
     24          8           0       -4.667931    0.545168    0.179928
     25          6           0       -5.662349   -0.440795    0.404455
     26          1           0       -1.305354   -2.538205    0.101013
     27          1           0       -3.668320   -1.978990    0.326462
     28          1           0       -2.783917    2.177944   -0.220901
     29          1           0       -5.493272   -0.973311    1.344574
     30          1           0       -5.705913   -1.160181   -0.418101
     31          1           0       -6.605720    0.096347    0.461347
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.4435720           0.2033668           0.1943488
 Leave Link  202 at Thu Aug 12 21:17:53 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  51 primitive shells out of 588 were deleted.
 There are   551 symmetry adapted cartesian basis functions of A   symmetry.
 There are   517 symmetry adapted basis functions of A   symmetry.
   517 basis functions,   967 primitive gaussians,   551 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1134.2048311163 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:17:55 2021, MaxMem=  5368709120 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   517 RedAO= T EigKep=  1.12D-06  NBF=   517
 NBsUse=   514 1.00D-06 EigRej=  8.39D-07 NBFU=   514
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   551   551   551   551   551 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Thu Aug 12 21:17:57 2021, MaxMem=  5368709120 cpu:               9.0 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:17:58 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer07_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:18:00 2021, MaxMem=  5368709120 cpu:              11.1 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368092331 LenY=  5367788179
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -767.253293989180    
 DIIS: error= 3.39D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -767.253293989180     IErMin= 1 ErrMin= 3.39D-03
 ErrMax= 3.39D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.16D-02 BMatP= 2.16D-02
 IDIUse=3 WtCom= 9.66D-01 WtEn= 3.39D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.313 Goal=   None    Shift=    0.000
 GapD=    0.313 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.10D-02 MaxDP=7.62D+00              OVMax= 1.93D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.99D-02    CP:  1.69D+00
 E= -767.273722731102     Delta-E=       -0.020428741921 Rises=F Damp=F
 DIIS: error= 7.77D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -767.273722731102     IErMin= 2 ErrMin= 7.77D-04
 ErrMax= 7.77D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-03 BMatP= 2.16D-02
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.77D-03
 Coeff-Com:  0.575D-02 0.994D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.570D-02 0.994D+00
 Gap=     0.291 Goal=   None    Shift=    0.000
 RMSDP=1.66D-02 MaxDP=1.47D+00 DE=-2.04D-02 OVMax= 9.88D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.26D-03    CP:  1.82D+00  1.17D+00
 E= -767.274219047038     Delta-E=       -0.000496315936 Rises=F Damp=F
 DIIS: error= 7.70D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -767.274219047038     IErMin= 3 ErrMin= 7.70D-04
 ErrMax= 7.70D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.49D-04 BMatP= 1.01D-03
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.70D-03
 Coeff-Com: -0.471D-01 0.510D+00 0.537D+00
 Coeff-En:   0.000D+00 0.253D+00 0.747D+00
 Coeff:     -0.467D-01 0.508D+00 0.539D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=1.91D-03 MaxDP=1.73D-01 DE=-4.96D-04 OVMax= 4.25D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.74D-04    CP:  1.83D+00  1.19D+00  1.13D+00
 E= -767.274853763803     Delta-E=       -0.000634716765 Rises=F Damp=F
 DIIS: error= 7.70D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -767.274853763803     IErMin= 4 ErrMin= 7.70D-05
 ErrMax= 7.70D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.75D-05 BMatP= 9.49D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.757D-02 0.688D-02 0.938D-01 0.907D+00
 Coeff:     -0.757D-02 0.688D-02 0.938D-01 0.907D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=4.38D-04 MaxDP=3.48D-02 DE=-6.35D-04 OVMax= 1.52D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.42D-04    CP:  1.84D+00  1.20D+00  1.18D+00  1.44D+00
 E= -767.274875949788     Delta-E=       -0.000022185985 Rises=F Damp=F
 DIIS: error= 4.74D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -767.274875949788     IErMin= 5 ErrMin= 4.74D-05
 ErrMax= 4.74D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.56D-06 BMatP= 1.75D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.158D-02-0.494D-01-0.192D-01 0.408D+00 0.659D+00
 Coeff:      0.158D-02-0.494D-01-0.192D-01 0.408D+00 0.659D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=9.29D-05 MaxDP=6.50D-03 DE=-2.22D-05 OVMax= 6.48D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.49D-05    CP:  1.84D+00  1.19D+00  1.19D+00  1.54D+00  1.23D+00
 E= -767.274881724052     Delta-E=       -0.000005774265 Rises=F Damp=F
 DIIS: error= 1.67D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -767.274881724052     IErMin= 6 ErrMin= 1.67D-05
 ErrMax= 1.67D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.67D-07 BMatP= 5.56D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.176D-02-0.210D-01-0.236D-01 0.372D-01 0.263D+00 0.743D+00
 Coeff:      0.176D-02-0.210D-01-0.236D-01 0.372D-01 0.263D+00 0.743D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=5.99D-05 MaxDP=5.56D-03 DE=-5.77D-06 OVMax= 3.67D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.73D-05    CP:  1.84D+00  1.19D+00  1.19D+00  1.57D+00  1.32D+00
                    CP:  1.39D+00
 E= -767.274882687765     Delta-E=       -0.000000963713 Rises=F Damp=F
 DIIS: error= 7.83D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -767.274882687765     IErMin= 7 ErrMin= 7.83D-06
 ErrMax= 7.83D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.14D-08 BMatP= 6.67D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.301D-03 0.164D-02-0.438D-02-0.562D-01-0.274D-01 0.229D+00
 Coeff-Com:  0.858D+00
 Coeff:      0.301D-03 0.164D-02-0.438D-02-0.562D-01-0.274D-01 0.229D+00
 Coeff:      0.858D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=3.43D-05 MaxDP=2.63D-03 DE=-9.64D-07 OVMax= 2.18D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.88D-06    CP:  1.83D+00  1.19D+00  1.19D+00  1.57D+00  1.36D+00
                    CP:  1.54D+00  1.57D+00
 E= -767.274882896468     Delta-E=       -0.000000208703 Rises=F Damp=F
 DIIS: error= 3.12D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -767.274882896468     IErMin= 8 ErrMin= 3.12D-06
 ErrMax= 3.12D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-08 BMatP= 8.14D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.201D-03 0.357D-02 0.282D-02-0.187D-01-0.464D-01-0.634D-01
 Coeff-Com:  0.198D+00 0.925D+00
 Coeff:     -0.201D-03 0.357D-02 0.282D-02-0.187D-01-0.464D-01-0.634D-01
 Coeff:      0.198D+00 0.925D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=1.11D-05 MaxDP=6.34D-04 DE=-2.09D-07 OVMax= 1.05D-04

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.46D-06    CP:  1.83D+00  1.19D+00  1.19D+00  1.57D+00  1.37D+00
                    CP:  1.63D+00  1.76D+00  1.47D+00
 E= -767.274882931488     Delta-E=       -0.000000035020 Rises=F Damp=F
 DIIS: error= 1.25D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -767.274882931488     IErMin= 9 ErrMin= 1.25D-06
 ErrMax= 1.25D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.57D-09 BMatP= 1.12D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.110D-03 0.104D-02 0.174D-02 0.899D-03-0.138D-01-0.587D-01
 Coeff-Com: -0.479D-01 0.374D+00 0.743D+00
 Coeff:     -0.110D-03 0.104D-02 0.174D-02 0.899D-03-0.138D-01-0.587D-01
 Coeff:     -0.479D-01 0.374D+00 0.743D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=3.39D-06 MaxDP=2.51D-04 DE=-3.50D-08 OVMax= 3.60D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.25D-06    CP:  1.83D+00  1.19D+00  1.19D+00  1.56D+00  1.37D+00
                    CP:  1.65D+00  1.83D+00  1.64D+00  1.31D+00
 E= -767.274882936423     Delta-E=       -0.000000004936 Rises=F Damp=F
 DIIS: error= 3.53D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -767.274882936423     IErMin=10 ErrMin= 3.53D-07
 ErrMax= 3.53D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.36D-10 BMatP= 2.57D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.361D-05-0.325D-03 0.600D-05 0.344D-02 0.446D-02-0.314D-02
 Coeff-Com: -0.446D-01-0.761D-01 0.155D+00 0.961D+00
 Coeff:      0.361D-05-0.325D-03 0.600D-05 0.344D-02 0.446D-02-0.314D-02
 Coeff:     -0.446D-01-0.761D-01 0.155D+00 0.961D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=2.62D-06 MaxDP=2.59D-04 DE=-4.94D-09 OVMax= 1.69D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.57D-07    CP:  1.83D+00  1.19D+00  1.19D+00  1.56D+00  1.36D+00
                    CP:  1.66D+00  1.86D+00  1.71D+00  1.48D+00  1.44D+00
 E= -767.274882937326     Delta-E=       -0.000000000902 Rises=F Damp=F
 DIIS: error= 1.11D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -767.274882937326     IErMin=11 ErrMin= 1.11D-07
 ErrMax= 1.11D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.67D-11 BMatP= 2.36D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.132D-04-0.230D-03-0.188D-03 0.114D-02 0.301D-02 0.532D-02
 Coeff-Com: -0.104D-01-0.646D-01-0.281D-01 0.330D+00 0.764D+00
 Coeff:      0.132D-04-0.230D-03-0.188D-03 0.114D-02 0.301D-02 0.532D-02
 Coeff:     -0.104D-01-0.646D-01-0.281D-01 0.330D+00 0.764D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=5.00D-07 MaxDP=5.83D-05 DE=-9.02D-10 OVMax= 3.63D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.21D-07    CP:  1.83D+00  1.19D+00  1.19D+00  1.56D+00  1.36D+00
                    CP:  1.66D+00  1.86D+00  1.73D+00  1.53D+00  1.53D+00
                    CP:  1.24D+00
 E= -767.274882937539     Delta-E=       -0.000000000213 Rises=F Damp=F
 DIIS: error= 5.53D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -767.274882937539     IErMin=12 ErrMin= 5.53D-08
 ErrMax= 5.53D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.60D-12 BMatP= 3.67D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.285D-05-0.110D-04-0.533D-04-0.227D-03 0.858D-04 0.207D-02
 Coeff-Com:  0.405D-02-0.522D-02-0.330D-01-0.513D-01 0.206D+00 0.877D+00
 Coeff:      0.285D-05-0.110D-04-0.533D-04-0.227D-03 0.858D-04 0.207D-02
 Coeff:      0.405D-02-0.522D-02-0.330D-01-0.513D-01 0.206D+00 0.877D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=2.06D-07 MaxDP=1.92D-05 DE=-2.13D-10 OVMax= 2.20D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.03D-07    CP:  1.83D+00  1.19D+00  1.19D+00  1.56D+00  1.36D+00
                    CP:  1.66D+00  1.85D+00  1.72D+00  1.54D+00  1.57D+00
                    CP:  1.36D+00  1.40D+00
 E= -767.274882937403     Delta-E=        0.000000000136 Rises=F Damp=F
 DIIS: error= 3.18D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -767.274882937539     IErMin=13 ErrMin= 3.18D-08
 ErrMax= 3.18D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.67D-13 BMatP= 4.60D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.904D-06 0.268D-04 0.888D-05-0.215D-03-0.375D-03-0.743D-04
 Coeff-Com:  0.235D-02 0.695D-02-0.624D-02-0.559D-01-0.510D-01 0.240D+00
 Coeff-Com:  0.864D+00
 Coeff:     -0.904D-06 0.268D-04 0.888D-05-0.215D-03-0.375D-03-0.743D-04
 Coeff:      0.235D-02 0.695D-02-0.624D-02-0.559D-01-0.510D-01 0.240D+00
 Coeff:      0.864D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=9.19D-08 MaxDP=8.18D-06 DE= 1.36D-10 OVMax= 1.24D-06

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  3.58D-08    CP:  1.83D+00  1.19D+00  1.19D+00  1.56D+00  1.36D+00
                    CP:  1.66D+00  1.85D+00  1.72D+00  1.54D+00  1.57D+00
                    CP:  1.40D+00  1.59D+00  1.34D+00
 E= -767.274882937473     Delta-E=       -0.000000000070 Rises=F Damp=F
 DIIS: error= 1.36D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -767.274882937539     IErMin=14 ErrMin= 1.36D-08
 ErrMax= 1.36D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.05D-13 BMatP= 8.67D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.917D-06 0.101D-04 0.153D-04-0.902D-05-0.131D-03-0.487D-03
 Coeff-Com: -0.269D-03 0.313D-02 0.561D-02-0.345D-02-0.611D-01-0.129D+00
 Coeff-Com:  0.233D+00 0.953D+00
 Coeff:     -0.917D-06 0.101D-04 0.153D-04-0.902D-05-0.131D-03-0.487D-03
 Coeff:     -0.269D-03 0.313D-02 0.561D-02-0.345D-02-0.611D-01-0.129D+00
 Coeff:      0.233D+00 0.953D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=5.26D-08 MaxDP=3.70D-06 DE=-6.98D-11 OVMax= 7.85D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  2.21D-08    CP:  1.83D+00  1.19D+00  1.19D+00  1.56D+00  1.36D+00
                    CP:  1.66D+00  1.85D+00  1.72D+00  1.54D+00  1.56D+00
                    CP:  1.40D+00  1.71D+00  1.58D+00  1.59D+00
 E= -767.274882937485     Delta-E=       -0.000000000012 Rises=F Damp=F
 DIIS: error= 7.73D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=12 EnMin= -767.274882937539     IErMin=15 ErrMin= 7.73D-09
 ErrMax= 7.73D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.26D-14 BMatP= 2.05D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.104D-06-0.550D-05 0.415D-06 0.545D-04 0.752D-04-0.680D-04
 Coeff-Com: -0.658D-03-0.129D-02 0.278D-02 0.145D-01 0.206D-02-0.880D-01
 Coeff-Com: -0.195D+00 0.181D+00 0.108D+01
 Coeff:      0.104D-06-0.550D-05 0.415D-06 0.545D-04 0.752D-04-0.680D-04
 Coeff:     -0.658D-03-0.129D-02 0.278D-02 0.145D-01 0.206D-02-0.880D-01
 Coeff:     -0.195D+00 0.181D+00 0.108D+01
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=3.14D-08 MaxDP=1.47D-06 DE=-1.21D-11 OVMax= 5.41D-07

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  1.03D-08    CP:  1.83D+00  1.19D+00  1.19D+00  1.56D+00  1.36D+00
                    CP:  1.66D+00  1.85D+00  1.72D+00  1.54D+00  1.55D+00
                    CP:  1.40D+00  1.75D+00  1.69D+00  2.07D+00  1.51D+00
 E= -767.274882937252     Delta-E=        0.000000000233 Rises=F Damp=F
 DIIS: error= 1.94D-09 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=12 EnMin= -767.274882937539     IErMin=16 ErrMin= 1.94D-09
 ErrMax= 1.94D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.20D-15 BMatP= 4.26D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.182D-06-0.318D-05-0.249D-05 0.171D-04 0.446D-04 0.630D-04
 Coeff-Com: -0.129D-03-0.906D-03-0.118D-03 0.450D-02 0.109D-01-0.963D-03
 Coeff-Com: -0.907D-01-0.113D+00 0.288D+00 0.902D+00
 Coeff:      0.182D-06-0.318D-05-0.249D-05 0.171D-04 0.446D-04 0.630D-04
 Coeff:     -0.129D-03-0.906D-03-0.118D-03 0.450D-02 0.109D-01-0.963D-03
 Coeff:     -0.907D-01-0.113D+00 0.288D+00 0.902D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=1.20D-08 MaxDP=1.20D-06 DE= 2.33D-10 OVMax= 1.46D-07

 Cycle  17  Pass 1  IDiag  1:
 RMSU=  3.92D-09    CP:  1.83D+00  1.19D+00  1.19D+00  1.56D+00  1.36D+00
                    CP:  1.66D+00  1.85D+00  1.72D+00  1.54D+00  1.55D+00
                    CP:  1.40D+00  1.75D+00  1.69D+00  2.21D+00  1.73D+00
                    CP:  1.33D+00
 E= -767.274882937438     Delta-E=       -0.000000000186 Rises=F Damp=F
 DIIS: error= 5.28D-10 at cycle  17 NSaved=  17.
 NSaved=17 IEnMin=12 EnMin= -767.274882937539     IErMin=17 ErrMin= 5.28D-10
 ErrMax= 5.28D-10  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.92D-16 BMatP= 6.20D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 17 BigCof=    0.00 CofMax=   10.00 Det=-3.38D-15
 Inversion failed.  Reducing to 16 matrices.
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-3.63D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.500D-06-0.216D-05 0.117D-05 0.165D-04 0.428D-04-0.448D-04
 Coeff-Com: -0.291D-03-0.765D-03 0.182D-02 0.986D-02 0.375D-02-0.444D-01
 Coeff-Com: -0.587D-01 0.183D+00 0.906D+00
 Coeff:     -0.500D-06-0.216D-05 0.117D-05 0.165D-04 0.428D-04-0.448D-04
 Coeff:     -0.291D-03-0.765D-03 0.182D-02 0.986D-02 0.375D-02-0.444D-01
 Coeff:     -0.587D-01 0.183D+00 0.906D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=3.22D-09 MaxDP=2.83D-07 DE=-1.86D-10 OVMax= 3.80D-08

 SCF Done:  E(RM11) =  -767.274882937     A.U. after   17 cycles
            NFock= 17  Conv=0.32D-08     -V/T= 2.0063
 KE= 7.624689027495D+02 PE=-4.054968096596D+03 EE= 1.391019479793D+03
 Leave Link  502 at Thu Aug 12 21:50:30 2021, MaxMem=  5368709120 cpu:           15589.2 elap:            1950.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   514
 NBasis=   517 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    514 NOA=    61 NOB=    61 NVA=   453 NVB=   453

 **** Warning!!: The largest alpha MO coefficient is  0.11005830D+03

 Leave Link  801 at Thu Aug 12 21:50:31 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9624 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.61D-13 8.33D-09 XBig12= 1.00D+00 3.34D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.61D-13 8.33D-09 XBig12= 2.03D-01 6.70D-02.
     11 vectors produced by pass  2 Test12= 4.61D-13 8.33D-09 XBig12= 5.12D-02 8.26D-02.
     11 vectors produced by pass  3 Test12= 4.61D-13 8.33D-09 XBig12= 6.15D-03 2.57D-02.
     11 vectors produced by pass  4 Test12= 4.61D-13 8.33D-09 XBig12= 1.32D-03 7.53D-03.
     11 vectors produced by pass  5 Test12= 4.61D-13 8.33D-09 XBig12= 1.67D-04 2.24D-03.
     11 vectors produced by pass  6 Test12= 4.61D-13 8.33D-09 XBig12= 1.03D-05 5.40D-04.
     11 vectors produced by pass  7 Test12= 4.61D-13 8.33D-09 XBig12= 5.29D-07 1.05D-04.
     11 vectors produced by pass  8 Test12= 4.61D-13 8.33D-09 XBig12= 2.89D-08 1.92D-05.
     11 vectors produced by pass  9 Test12= 4.61D-13 8.33D-09 XBig12= 9.79D-10 2.78D-06.
     11 vectors produced by pass 10 Test12= 4.61D-13 8.33D-09 XBig12= 3.28D-11 4.73D-07.
      8 vectors produced by pass 11 Test12= 4.61D-13 8.33D-09 XBig12= 1.17D-12 9.67D-08.
      4 vectors produced by pass 12 Test12= 4.61D-13 8.33D-09 XBig12= 8.95D-14 2.38D-08.
      3 vectors produced by pass 13 Test12= 4.61D-13 8.33D-09 XBig12= 1.69D-13 2.07D-08.
      1 vectors produced by pass 14 Test12= 4.61D-13 8.33D-09 XBig12= 4.56D-14 9.22D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 6.39D-14
 Solved reduced A of dimension   137 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.304248D+03
      2  0.133766D+02  0.174420D+03
      3 -0.155064D+02 -0.523577D+01  0.120783D+03
 Isotropic polarizability for W=    0.088559      199.82 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.325055D+03 -0.398868D+02  0.878700D+02
      2   0.154720D+03  0.198512D+02 -0.426622D+02
      3   0.170336D+03  0.200356D+02 -0.452079D+02
      4  -0.531136D+02 -0.116364D+03  0.387139D+02
      5   0.173441D+02  0.426551D+02  0.303886D+02
      6   0.115728D+02 -0.706501D+02 -0.346012D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.958848D+01 -0.293313D+02  0.124521D+02
      2   0.769558D+02  0.160033D+02  0.109091D+02
      3   0.410332D+02  0.554379D+02 -0.201625D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.394120D+01 -0.279879D+02  0.546368D+02
      2   0.705260D+02  0.271410D+02 -0.139947D+03
      3  -0.132268D+02  0.271084D+03 -0.310822D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.109430D+01 -0.658887D+01 -0.819509D+01
      2  -0.658887D+01  0.149823D+01 -0.194653D+00
      3  -0.819509D+01 -0.194653D+00  0.502535D+01
 OR G Eigenvalues:    -9.6770     2.9610    12.1452  Iso=    -1.8098
 Eigenvectors:
   (1)   0.771760   0.462628   0.436305
   (2)  -0.162304   0.806683  -0.568260
   (3)  -0.614853   0.367746   0.697652
 w=    0.088559 a.u., Optical Rotation Beta=     -1.8098 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =     -398.54 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  133903 ScalPx= 7.38D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.14D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.68D-14 2.78D-09 XBig12= 1.00D+00 2.89D-01.
     30 vectors produced by pass  1 Test12= 7.68D-14 2.78D-09 XBig12= 4.41D-02 3.57D-02.
     30 vectors produced by pass  2 Test12= 7.68D-14 2.78D-09 XBig12= 8.35D-03 1.29D-02.
     30 vectors produced by pass  3 Test12= 7.68D-14 2.78D-09 XBig12= 1.54D-04 1.73D-03.
     30 vectors produced by pass  4 Test12= 7.68D-14 2.78D-09 XBig12= 4.74D-06 2.57D-04.
     30 vectors produced by pass  5 Test12= 7.68D-14 2.78D-09 XBig12= 1.20D-07 2.72D-05.
     30 vectors produced by pass  6 Test12= 7.68D-14 2.78D-09 XBig12= 2.57D-09 3.72D-06.
     30 vectors produced by pass  7 Test12= 7.68D-14 2.78D-09 XBig12= 4.77D-11 5.78D-07.
     30 vectors produced by pass  8 Test12= 7.68D-14 2.78D-09 XBig12= 7.44D-13 8.94D-08.
     11 vectors produced by pass  9 Test12= 7.68D-14 2.78D-09 XBig12= 3.74D-14 1.68D-08.
      6 vectors produced by pass 10 Test12= 7.68D-14 2.78D-09 XBig12= 2.25D-14 1.05D-08.
      4 vectors produced by pass 11 Test12= 7.68D-14 2.78D-09 XBig12= 2.16D-14 8.60D-09.
      4 vectors produced by pass 12 Test12= 7.68D-14 2.78D-09 XBig12= 3.62D-14 1.25D-08.
      4 vectors produced by pass 13 Test12= 7.68D-14 2.78D-09 XBig12= 2.33D-14 1.03D-08.
      3 vectors produced by pass 14 Test12= 7.68D-14 2.78D-09 XBig12= 2.29D-14 8.21D-09.
      3 vectors produced by pass 15 Test12= 7.68D-14 2.78D-09 XBig12= 1.46D-14 6.75D-09.
      2 vectors produced by pass 16 Test12= 7.68D-14 2.78D-09 XBig12= 9.48D-15 5.14D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.33D-15
 Solved reduced A of dimension   307 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.64D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.64D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.09D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.304248D+03  0.133766D+02 -0.155064D+02
      2   0.133766D+02  0.174420D+03 -0.523577D+01
      3  -0.155064D+02 -0.523577D+01  0.120783D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.958848D+01 -0.293313D+02  0.124521D+02
      2   0.769558D+02  0.160033D+02  0.109091D+02
      3   0.410332D+02  0.554379D+02 -0.201625D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.325055D+03 -0.398868D+02  0.878700D+02
      2   0.154720D+03  0.198512D+02 -0.426622D+02
      3   0.170336D+03  0.200356D+02 -0.452079D+02
      4  -0.531136D+02 -0.116364D+03  0.387139D+02
      5   0.173441D+02  0.426551D+02  0.303886D+02
      6   0.115728D+02 -0.706501D+02 -0.346012D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.393485D+02  0.832202D+01 -0.382311D+01 -0.452416D+02 -0.617496D+01
      2   0.832202D+01  0.494175D+01 -0.169486D+01 -0.617496D+01 -0.580758D+01
      3  -0.382311D+01 -0.169486D+01  0.173887D+00  0.512032D+01  0.105546D+01
                 6             7             8             9            10 
      1   0.512032D+01  0.110507D+01 -0.302844D+00  0.114668D+01 -0.320607D+02
      2   0.105546D+01 -0.302844D+00 -0.126794D+00 -0.931958D+00 -0.649781D+01
      3  -0.271515D+00  0.114668D+01 -0.931958D+00  0.151640D+00  0.297582D+01
                11            12            13            14            15 
      1  -0.649781D+01  0.297582D+01  0.499193D+02  0.748416D+01 -0.575779D+01
      2  -0.860540D+00  0.437762D+00  0.748416D+01  0.768497D+01 -0.177667D+01
      3   0.437762D+00 -0.128985D+00 -0.575779D+01 -0.177667D+01  0.202317D+00
                16            17            18            19            20 
      1  -0.137125D+01  0.857793D-01 -0.380780D+00 -0.452012D+02 -0.965678D+01
      2   0.857793D-01 -0.448736D+00  0.112001D+01 -0.965678D+01 -0.968636D+01
      3  -0.380780D+00  0.112001D+01 -0.298043D+00  0.389840D+01  0.166694D+01
                21            22            23            24            25 
      1   0.389840D+01 -0.167007D+02 -0.209607D+01  0.265498D+00  0.735842D+01
      2   0.166694D+01 -0.209607D+01 -0.567657D+01  0.561009D+00  0.269061D+00
      3  -0.572091D+00  0.265498D+00  0.561009D+00 -0.212657D+01  0.258864D+00
                26            27            28            29            30 
      1   0.269061D+00  0.258864D+00  0.471735D+02  0.499700D+01 -0.111455D+01
      2   0.102215D+01 -0.365705D+01  0.499700D+01  0.439855D+01 -0.625102D+00
      3  -0.365705D+01  0.569076D+00 -0.111455D+01 -0.625102D+00  0.214337D+01
                31            32            33            34            35 
      1   0.801488D+01  0.230105D+01 -0.273304D+00 -0.484836D+01 -0.199825D+00
      2   0.230105D+01  0.159279D+02 -0.279743D+01 -0.199825D+00 -0.278232D+01
      3  -0.273304D+00 -0.279743D+01  0.336939D+00  0.573920D+01  0.121122D+01
                36            37            38            39            40 
      1   0.573920D+01  0.942726D+01 -0.165041D+01 -0.168005D+00  0.534374D+01
      2   0.121122D+01 -0.165041D+01  0.127363D+02 -0.128807D+01  0.117851D+01
      3  -0.142272D+01 -0.168005D+00 -0.128807D+01  0.267529D+01  0.533228D+00
                41            42            43            44            45 
      1   0.117851D+01  0.533228D+00 -0.670393D+00  0.108519D+01  0.461317D+01
      2  -0.905794D+01  0.162935D+01  0.108519D+01 -0.307314D+00  0.197797D+01
      3   0.162935D+01  0.603139D+00  0.461317D+01  0.197797D+01 -0.240091D+01
                46            47            48            49            50 
      1  -0.153033D+02  0.139766D+01  0.163292D+01  0.262451D+00  0.231676D+01
      2   0.139766D+01 -0.920972D+01  0.195435D+01  0.231676D+01  0.144125D+00
      3   0.163292D+01  0.195435D+01 -0.252427D+01 -0.901879D-01  0.467096D+00
                51            52            53            54            55 
      1  -0.901879D-01  0.168686D+01  0.523037D-01 -0.146535D+01  0.513067D+01
      2   0.467096D+00  0.523037D-01  0.203267D+01  0.405982D+01 -0.276276D+01
      3   0.185422D+01 -0.146535D+01  0.405982D+01 -0.854032D+00 -0.276741D+00
                56            57            58            59            60 
      1  -0.276276D+01 -0.276741D+00 -0.191760D+01 -0.362140D+01  0.218403D+00
      2   0.522728D+01 -0.244737D+00 -0.362140D+01 -0.226187D+01  0.643685D-01
      3  -0.244737D+00  0.238092D+01  0.218403D+00  0.643685D-01 -0.175534D+01
                61            62            63            64            65 
      1  -0.412667D+00  0.294856D+00  0.481161D+00  0.119064D+01 -0.219350D+01
      2   0.294856D+00 -0.127921D+01 -0.400397D+01 -0.219350D+01  0.936015D+00
      3   0.481161D+00 -0.400397D+01  0.418764D+00 -0.119892D+00  0.256582D+00
                66            67            68            69            70 
      1  -0.119892D+00 -0.287794D+01  0.296420D+01  0.107120D+00 -0.322651D+00
      2   0.256582D+00  0.296420D+01 -0.653085D+01 -0.717421D-01  0.188584D+00
      3   0.736009D-01  0.107120D+00 -0.717421D-01 -0.699310D+00  0.148939D-02
                71            72            73            74            75 
      1   0.188584D+00  0.148939D-02  0.637114D+01  0.345666D+01 -0.109678D+01
      2   0.391113D+00 -0.148621D+00  0.345666D+01  0.336291D+01 -0.775769D+00
      3  -0.148621D+00 -0.760038D-02 -0.109678D+01 -0.775769D+00  0.686738D+00
                76            77            78            79            80 
      1   0.385376D+01  0.445932D+01 -0.972721D+00 -0.146779D+01 -0.970152D+00
      2   0.445932D+01  0.533411D+01 -0.111179D+01 -0.970152D+00 -0.917546D+00
      3  -0.972721D+00 -0.111179D+01  0.893959D+00 -0.981672D-01  0.602071D+00
                81            82            83            84            85 
      1  -0.981672D-01 -0.107745D+01  0.159173D+01 -0.770700D-01  0.641627D+00
      2   0.602071D+00  0.159173D+01 -0.235174D+01  0.126148D+00 -0.142757D+01
      3  -0.211836D+00 -0.770700D-01  0.126148D+00 -0.181858D+00  0.233245D+00
                86            87            88            89            90 
      1  -0.142757D+01  0.233245D+00  0.177881D-01 -0.427767D-01  0.139421D+00
      2   0.108721D+02 -0.106487D+01 -0.427767D-01 -0.906870D+00  0.312893D+00
      3  -0.106487D+01  0.999306D+00  0.139421D+00  0.312893D+00 -0.156316D+00
                91            92            93            94            95 
      1  -0.207460D+02 -0.311696D+01 -0.193802D+01 -0.875330D+00 -0.238038D+01
      2  -0.311696D+01 -0.949738D+00 -0.347465D+00 -0.238038D+01  0.140994D+01
      3  -0.193802D+01 -0.347465D+00 -0.328698D+01  0.325170D+00  0.336927D+01
                96            97            98            99           100 
      1   0.325170D+00 -0.707221D+01 -0.630754D+00 -0.608253D+01 -0.790287D+01
      2   0.336927D+01 -0.630754D+00  0.224929D+01 -0.184790D+01  0.156437D+01
      3  -0.731308D+00 -0.608253D+01 -0.184790D+01 -0.834402D+00  0.193936D+01
               101           102           103           104           105 
      1   0.156437D+01  0.193936D+01 -0.155783D+01  0.243453D+01  0.630047D+00
      2   0.179210D+01  0.745945D+00  0.243453D+01 -0.164642D+01 -0.345750D+01
      3   0.745945D+00  0.356744D+01  0.630047D+00 -0.345750D+01  0.128415D+01
               106           107           108           109           110 
      1   0.196576D+01  0.811252D+00  0.256832D+01 -0.247319D+01 -0.940116D+00
      2   0.811252D+00 -0.256153D+01  0.252227D+01 -0.940116D+00 -0.217052D+00
      3   0.256832D+01  0.252227D+01  0.334653D+01  0.324033D-01 -0.334888D+00
               111           112           113           114           115 
      1   0.324033D-01 -0.106707D+01  0.764101D+00  0.346564D-01  0.117025D+02
      2  -0.334888D+00  0.764101D+00 -0.704750D-01 -0.144556D+00  0.407246D+00
      3   0.142724D+01  0.346564D-01 -0.144556D+00  0.656812D+00  0.512874D+01
               116           117           118           119           120 
      1   0.407246D+00  0.512874D+01  0.377146D+01  0.187635D+01 -0.157301D+01
      2   0.609111D+00  0.384823D+00  0.187635D+01  0.100305D+01 -0.519131D+00
      3   0.384823D+00  0.939267D+00 -0.157301D+01 -0.519131D+00  0.167280D+01
               121           122           123           124           125 
      1   0.545914D+01  0.174395D+01 -0.112693D+01 -0.225207D+01 -0.585353D+00
      2   0.174395D+01  0.260832D+01 -0.203005D+01 -0.585353D+00 -0.195093D+01
      3  -0.112693D+01 -0.203005D+01  0.183068D+01  0.262476D+01  0.173637D+01
               126           127           128           129           130 
      1   0.262476D+01 -0.727872D+00 -0.257768D+00 -0.133973D+01  0.283787D+00
      2   0.173637D+01 -0.257768D+00 -0.104356D+01 -0.916125D+00 -0.367652D+00
      3  -0.351277D+01 -0.133973D+01 -0.916125D+00 -0.255374D+01 -0.122897D+00
               131           132           133           134           135 
      1  -0.367652D+00 -0.122897D+00 -0.172834D+01  0.231537D+00 -0.514431D+00
      2  -0.111555D+01 -0.104089D+01  0.231537D+00 -0.184167D+01 -0.254392D+01
      3  -0.104089D+01 -0.144216D+01 -0.514431D+00 -0.254392D+01 -0.747240D+01
               136           137           138           139           140 
      1  -0.123755D-01 -0.508946D+00  0.435203D+00 -0.124854D+01  0.307947D+00
      2  -0.508946D+00 -0.932538D+00  0.234667D-01  0.307947D+00 -0.446299D+01
      3   0.435203D+00  0.234667D-01 -0.800003D+00  0.684878D-02  0.161872D+01
               141           142           143           144           145 
      1   0.684878D-02  0.133250D+01 -0.664377D+00 -0.361093D+00  0.124936D+02
      2   0.161872D+01 -0.664377D+00  0.292348D+01 -0.157611D+01 -0.318512D+01
      3  -0.161879D+01 -0.361093D+00 -0.157611D+01  0.187097D+01 -0.226937D+01
               146           147           148           149           150 
      1  -0.318512D+01 -0.226937D+01 -0.172926D+01  0.139952D+01  0.209332D+00
      2   0.186604D+01  0.750488D+00  0.139952D+01 -0.527943D+00 -0.129043D-01
      3   0.750488D+00  0.146205D+01  0.209332D+00 -0.129043D-01 -0.179487D+00
               151           152           153           154           155 
      1  -0.141250D+01  0.279580D+00  0.130839D+01  0.185265D+02  0.258314D+01
      2   0.279580D+00  0.518746D-01 -0.606812D+00  0.258314D+01  0.198342D+01
      3   0.130839D+01 -0.606812D+00 -0.100370D+01  0.145405D+01  0.607419D+00
               156           157           158           159           160 
      1   0.145405D+01  0.334488D+01  0.416045D+01  0.244706D+00  0.223934D+01
      2   0.607419D+00  0.416045D+01  0.196492D+01  0.500704D+00  0.528727D+00
      3   0.256249D+01  0.244706D+00  0.500704D+00  0.267468D+00  0.302636D+01
               161           162           163           164           165 
      1   0.528727D+00  0.302636D+01  0.115202D+02  0.382135D+00  0.458753D+01
      2  -0.262024D+00  0.689300D+00  0.382135D+00 -0.565098D+00 -0.218669D+00
      3   0.689300D+00  0.438473D+00  0.458753D+01 -0.218669D+00  0.783090D+00
               166           167           168           169           170 
      1   0.198722D+01 -0.470348D+00  0.354315D+00  0.142590D+01 -0.421665D+00
      2  -0.470348D+00 -0.350533D+00  0.124720D+01 -0.421665D+00  0.464128D+00
      3   0.354315D+00  0.124720D+01 -0.160506D+00  0.376057D+00  0.175604D+00
               171           172           173           174           175 
      1   0.376057D+00 -0.103062D+02  0.119633D-01 -0.253821D+01 -0.124018D+01
      2   0.175604D+00  0.119633D-01 -0.382859D-01  0.134507D+00  0.301356D+00
      3   0.652405D+01 -0.253821D+01  0.134507D+00 -0.262906D+01 -0.304971D+00
               176           177           178           179           180 
      1   0.301356D+00 -0.304971D+00 -0.609313D+01  0.123879D+00 -0.250618D+01
      2  -0.119475D+00  0.605545D+00  0.123879D+00  0.115576D+01 -0.126247D+00
      3   0.605545D+00 -0.505036D+00 -0.250618D+01 -0.126247D+00  0.300764D-01
               181           182           183           184           185 
      1  -0.623876D+01  0.130730D+01 -0.166073D+00 -0.134226D+02 -0.273135D+01
      2   0.130730D+01 -0.952177D+01 -0.890207D-01 -0.273135D+01  0.518561D+01
      3  -0.166073D+00 -0.890207D-01 -0.255824D+01  0.110197D+01 -0.416585D+00
               186           187           188           189           190 
      1   0.110197D+01  0.112989D+01 -0.627490D+00 -0.406813D+01 -0.415913D+02
      2  -0.416585D+00 -0.627490D+00  0.139544D-01 -0.249518D+01 -0.565394D+01
      3  -0.157608D+01 -0.406813D+01 -0.249518D+01  0.191797D+01  0.338801D+01
               191           192           193           194           195 
      1  -0.565394D+01  0.338801D+01 -0.134341D+01 -0.222451D+01 -0.661292D+00
      2  -0.949614D+01  0.100011D+01 -0.222451D+01 -0.120091D+02  0.909277D+00
      3   0.100011D+01 -0.449393D+01 -0.661292D+00  0.909277D+00  0.449979D+00
               196           197           198           199           200 
      1   0.346232D+01  0.936634D-01 -0.732425D+01  0.377727D+02  0.905576D+01
      2   0.936634D-01  0.230356D+01 -0.722656D+00  0.905576D+01  0.749126D+01
      3  -0.732425D+01 -0.722656D+00  0.188010D+01 -0.421254D+01 -0.667086D+00
               201           202           203           204           205 
      1  -0.421254D+01  0.167102D+02  0.371217D+01 -0.175503D+01 -0.642108D+01
      2  -0.667086D+00  0.371217D+01  0.566757D+01 -0.950502D-01 -0.933102D+00
      3   0.738173D+00 -0.175503D+01 -0.950502D-01  0.290199D+01  0.285034D+00
               206           207           208           209           210 
      1  -0.933102D+00  0.285034D+00  0.123026D+02  0.432186D+01 -0.175586D+01
      2  -0.591467D+00  0.462606D+01  0.432186D+01  0.361534D+01 -0.769625D+00
      3   0.462606D+01 -0.125753D+01 -0.175586D+01 -0.769625D+00  0.585852D+00
               211           212           213           214           215 
      1  -0.251735D+01 -0.309647D+01  0.442493D+00 -0.117256D+01 -0.105174D+00
      2  -0.309647D+01  0.120405D+01  0.145622D+00 -0.105174D+00 -0.416470D+00
      3   0.442493D+00  0.145622D+00 -0.140931D+01  0.309214D+00  0.674327D+00
               216           217           218           219           220 
      1   0.309214D+00  0.370680D+00 -0.444717D+01  0.767749D+00 -0.436059D+01
      2   0.674327D+00 -0.444717D+01 -0.545636D+00  0.120929D+01  0.265201D+01
      3  -0.847938D-02  0.767749D+00  0.120929D+01  0.162640D+00  0.130270D+01
               221           222           223           224           225 
      1   0.265201D+01  0.130270D+01  0.884981D+00  0.112676D+01  0.201741D+01
      2   0.156692D+01  0.774965D+00  0.112676D+01  0.895209D+00  0.431699D+01
      3   0.774965D+00  0.615308D+01  0.201741D+01  0.431699D+01 -0.211637D+01
               226           227           228           229           230 
      1   0.630310D+00 -0.149045D+01  0.750161D-01 -0.457582D+00  0.852176D+00
      2  -0.149045D+01  0.210958D+01 -0.267613D-01  0.852176D+00 -0.977675D+01
      3   0.750161D-01 -0.267613D-01  0.130454D+00 -0.130405D+00  0.697858D+00
               231           232           233           234           235 
      1  -0.130405D+00 -0.298798D-01  0.493760D-01 -0.104202D+00 -0.660413D+01
      2   0.697858D+00  0.493760D-01  0.726216D+00 -0.215777D+00 -0.326529D+01
      3  -0.890538D+00 -0.104202D+00 -0.215777D+00  0.102822D+00  0.107097D+01
               236           237           238           239           240 
      1  -0.326529D+01  0.107097D+01 -0.475902D+01 -0.434795D+01  0.954294D+00
      2  -0.265676D+01  0.575193D+00 -0.434795D+01 -0.477773D+01  0.909629D+00
      3   0.575193D+00 -0.450457D+00  0.954294D+00  0.909629D+00 -0.733145D+00
               241           242           243           244           245 
      1   0.143498D+01  0.912239D+00  0.164158D+00 -0.133345D+01  0.255882D+01
      2   0.912239D+00  0.838822D+00 -0.294681D+00  0.255882D+01 -0.209690D+01
      3   0.164158D+00 -0.294681D+00  0.769615D-01 -0.201785D+00 -0.668074D-01
               246           247           248           249           250 
      1  -0.201785D+00  0.303595D+01 -0.365077D+01  0.170625D+00 -0.258037D+00
      2  -0.668074D-01 -0.365077D+01  0.844149D+01 -0.426942D+00  0.610767D-01
      3  -0.291253D+00  0.170625D+00 -0.426942D+00  0.931595D+00 -0.230422D+00
               251           252           253           254           255 
      1   0.610767D-01 -0.230422D+00  0.529761D+00  0.266173D-01  0.887318D+00
      2  -0.617360D+00  0.133692D+00  0.266173D-01  0.341978D+00 -0.539647D-01
      3   0.133692D+00 -0.557503D-01  0.887318D+00 -0.539647D-01  0.484128D+00
               256           257           258           259           260 
      1  -0.117004D+01 -0.148527D+01  0.999221D+00  0.366237D+01  0.109595D+01
      2  -0.148527D+01 -0.216018D+01  0.190637D+01  0.109595D+01  0.178885D+01
      3   0.999221D+00  0.190637D+01 -0.298181D+01 -0.292464D+01 -0.276659D+01
               261           262           263           264           265 
      1  -0.292464D+01 -0.103910D+01 -0.659692D+00 -0.143392D+01 -0.264188D+01
      2  -0.276659D+01 -0.659692D+00 -0.290581D+00 -0.553651D+00 -0.256954D+01
      3   0.645785D+01 -0.143392D+01 -0.553651D+00 -0.130683D+00 -0.146802D+01
               266           267           268           269           270 
      1  -0.256954D+01 -0.146802D+01 -0.457428D+01 -0.191191D+01 -0.237840D+01
      2  -0.348272D+01 -0.212099D+01 -0.191191D+01 -0.241610D+01 -0.259475D+01
      3  -0.212099D+01 -0.267832D+01 -0.237840D+01 -0.259475D+01 -0.359333D+01
               271           272           273           274           275 
      1  -0.139417D+02  0.283332D+01  0.959914D+00  0.627169D+01 -0.238797D+01
      2   0.283332D+01 -0.134320D+01 -0.296462D+00 -0.238797D+01  0.182266D+01
      3   0.959914D+00 -0.296462D+00 -0.110861D+01 -0.590627D+00  0.105526D+00
               276           277           278           279 
      1  -0.590627D+00  0.698543D+00 -0.301633D+00 -0.174986D+01
      2   0.105526D+00 -0.301633D+00 -0.398442D-01 -0.112174D-01
      3   0.393592D+00 -0.174986D+01 -0.112174D-01  0.481631D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.207098D+01  0.396428D+01  0.158452D+00  0.540016D+01  0.547441D+01
      2   0.140044D+02  0.587679D+01 -0.140160D+01 -0.143297D+02  0.203884D+00
      3  -0.273510D+01  0.390489D+02 -0.338826D+01  0.310298D+02  0.240075D+02
                 6             7             8             9            10 
      1  -0.102038D+01  0.315810D+01  0.681670D+01 -0.978128D+00  0.171733D+01
      2   0.655512D+00 -0.185945D+02 -0.271709D+01  0.233874D+01 -0.175484D+02
      3  -0.465702D+01 -0.247959D+01 -0.821409D+01 -0.742737D-01 -0.199558D+01
                11            12            13            14            15 
      1   0.664273D+01 -0.905272D+00  0.654971D+01  0.985713D+00  0.730054D+00
      2   0.933342D+00 -0.394682D+01  0.206453D+02  0.391178D+01 -0.213024D+01
      3   0.473803D+02 -0.369378D+01  0.615156D+02  0.226012D+02 -0.865178D+01
                16            17            18            19            20 
      1   0.262233D+01  0.611351D+01 -0.117353D+01  0.313673D+01 -0.100295D+00
      2  -0.215736D+02 -0.185077D+01  0.298394D+01 -0.216882D+02 -0.767387D+01
      3  -0.436912D+01 -0.919886D+01  0.226406D+01  0.102547D+02 -0.301348D+02
                21            22            23            24            25 
      1  -0.676633D+00 -0.436540D+00  0.391285D+01 -0.287297D+01  0.448741D+01
      2   0.859826D+00 -0.110126D+02 -0.146721D+01 -0.125730D+01 -0.165371D+02
      3   0.160490D+01  0.346308D+01  0.215207D+01 -0.146358D+00  0.339945D+01
                26            27            28            29            30 
      1   0.155686D+01  0.255750D+01  0.235262D+01  0.601277D+00 -0.340544D+00
      2  -0.599690D+01  0.182872D+01  0.271468D+02  0.354068D+01  0.116308D+01
      3   0.470993D+01  0.242394D+01  0.109804D+02  0.675508D+01 -0.695860D+00
                31            32            33            34            35 
      1   0.567690D+01 -0.598487D+01  0.316238D+01 -0.172937D+01  0.140870D+02
      2   0.390282D+01 -0.649320D-01  0.403884D-01 -0.141292D+02 -0.830489D+00
      3   0.278222D+02  0.396917D+01  0.212755D+01 -0.329039D+01 -0.111618D+01
                36            37            38            39            40 
      1  -0.242613D+01  0.196413D+01 -0.507773D+01 -0.593633D+01 -0.314582D+01
      2   0.123096D+01  0.320631D+01  0.284693D+00  0.306165D+01  0.337748D+01
      3  -0.184136D+00  0.281115D+02  0.130015D+01 -0.505139D+00 -0.299993D+01
                41            42            43            44            45 
      1   0.535819D+01 -0.105301D+01 -0.153348D+02  0.744571D+01  0.139881D+01
      2   0.204807D+01  0.895860D+00 -0.828742D+01  0.672896D+01  0.702885D+00
      3   0.244020D+01 -0.161962D+01 -0.636308D+00 -0.206543D+01  0.642792D+01
                46            47            48            49            50 
      1  -0.499013D+01  0.176066D+00  0.573783D+01 -0.195898D+01 -0.390095D+01
      2  -0.908845D+01 -0.140532D+01  0.752161D+00 -0.144710D+01 -0.108549D+01
      3  -0.485602D+02 -0.326473D+02  0.607324D+01 -0.718875D+01 -0.227799D+02
                51            52            53            54            55 
      1  -0.397432D+01  0.826345D+01 -0.401372D+01 -0.269727D+01 -0.148144D+01
      2   0.114280D+01 -0.158660D+02  0.149715D+01  0.295203D+00 -0.599059D+01
      3   0.304747D+01  0.758349D+01  0.611418D+01 -0.666875D+01 -0.286531D+02
                56            57            58            59            60 
      1  -0.524602D+01  0.592960D+01  0.994449D+00 -0.309137D+01 -0.309621D+01
      2  -0.374800D+01 -0.567668D+01 -0.341686D+01 -0.303442D+01  0.392156D+01
      3  -0.327136D+02  0.462054D+01 -0.140356D+01 -0.260631D+02  0.158103D+01
                61            62            63            64            65 
      1   0.584537D+01 -0.157114D+01 -0.572340D+00  0.469320D+00  0.704803D+00
      2  -0.213558D+02  0.561804D+01  0.125294D+01 -0.291480D+00 -0.374854D+00
      3   0.364180D+01  0.554288D+01 -0.109442D+02 -0.972620D+00  0.136520D+01
                66            67            68            69            70 
      1   0.585366D+00 -0.421335D+00  0.172560D+01 -0.340600D+01  0.486288D+00
      2  -0.767540D-01 -0.700760D+00  0.860126D+00 -0.113606D+01 -0.219274D+01
      3   0.295665D-01  0.540798D+01  0.428166D+01 -0.524624D+00 -0.944474D-01
                71            72            73            74            75 
      1   0.200206D+01 -0.214541D+00 -0.218360D+00 -0.122174D+01 -0.232205D+01
      2   0.118640D+01  0.741394D-02  0.372881D+01  0.136838D+01  0.172228D+01
      3  -0.609880D+00 -0.767908D+00  0.971954D+01  0.217320D+00 -0.877831D+00
                76            77            78            79            80 
      1  -0.147500D+01 -0.203470D+01 -0.265367D+01  0.278205D+01  0.122500D+01
      2   0.167282D+01  0.150687D+01  0.221054D+01 -0.338568D+01  0.117740D+00
      3   0.175693D+01 -0.128064D+01 -0.812815D-01 -0.179203D+01  0.144785D+00
                81            82            83            84            85 
      1  -0.152234D+00 -0.118642D+01  0.149280D+01  0.125460D+01  0.361824D+00
      2  -0.542847D+00 -0.890032D+00  0.870512D+00  0.623770D+00  0.678338D+00
      3  -0.981074D+00 -0.514242D+01  0.281388D+01  0.492842D-01  0.536474D+01
                86            87            88            89            90 
      1  -0.412357D+01 -0.451745D+01 -0.129292D+01  0.247722D+01  0.288210D+00
      2  -0.126714D+01 -0.815852D+00 -0.550045D+00 -0.862308D+00  0.256354D+00
      3  -0.385726D+01  0.659646D+00  0.536620D+00  0.364101D+00  0.889503D+00
                91            92            93            94            95 
      1  -0.213327D+00  0.131037D+01 -0.162481D+00 -0.117216D+01 -0.539759D-01
      2  -0.207335D+02 -0.225467D+01 -0.106689D+02  0.626774D+00  0.879264D+01
      3   0.139626D+01 -0.437966D+00 -0.101435D+01  0.179350D+02 -0.699907D+01
                96            97            98            99           100 
      1  -0.334800D+01 -0.246546D+01  0.372640D+01  0.356203D+01  0.790773D+00
      2  -0.204843D+01 -0.382494D+02 -0.608940D+01 -0.668486D+01 -0.305221D+01
      3  -0.134789D+02 -0.559464D+00 -0.120220D+02  0.609195D+01  0.113486D+02
               101           102           103           104           105 
      1  -0.341697D+01  0.410471D+01 -0.138294D+01 -0.396730D+01  0.620009D+01
      2   0.466930D+01  0.176274D+02  0.138466D+01 -0.908710D+01  0.575356D+01
      3  -0.172554D+02 -0.686797D+01 -0.114034D+02  0.115239D+01  0.146775D+02
               106           107           108           109           110 
      1   0.615239D+00  0.106971D+02  0.171075D+01 -0.377038D+01 -0.180342D+01
      2   0.880771D+01  0.999226D+01  0.151118D+02  0.207377D+02  0.283198D+01
      3  -0.516600D+01  0.104054D+02 -0.155238D+02  0.614424D+00  0.142203D+02
               111           112           113           114           115 
      1   0.414865D+01 -0.119996D+02 -0.374098D+01 -0.171436D+02  0.319820D+01
      2   0.391627D+01 -0.608285D+00  0.625995D+00 -0.202508D+01  0.180199D+02
      3  -0.193972D+00  0.122751D+02  0.759866D+01  0.300995D+01  0.375045D-01
               116           117           118           119           120 
      1  -0.471541D+01  0.163363D+01 -0.889827D+00 -0.137248D+01  0.477506D+00
      2  -0.110583D+01  0.269894D+01 -0.270490D+01 -0.470839D+00  0.592501D+01
      3   0.339041D+01 -0.563871D+00 -0.729118D+01 -0.587971D+01  0.195949D+01
               121           122           123           124           125 
      1  -0.313413D+00 -0.259401D+01  0.563459D+00  0.356962D+00  0.286320D+01
      2   0.756892D+00 -0.536850D+01  0.579621D+01  0.576902D+01  0.509226D+01
      3  -0.193863D+01 -0.953390D+01  0.737057D+01  0.182815D+01  0.839356D+01
               126           127           128           129           130 
      1  -0.100944D+01 -0.130879D+01  0.148989D+01 -0.290585D+01  0.397823D+00
      2  -0.929548D+01 -0.780434D+01 -0.297801D+01 -0.991972D+01 -0.287340D+00
      3  -0.661463D+01  0.417600D+01  0.476848D+01  0.619912D+01  0.351510D+01
               131           132           133           134           135 
      1  -0.552791D-01 -0.231542D+01 -0.189053D+01  0.119137D+01 -0.792568D+01
      2  -0.418003D+01 -0.533086D+01 -0.674819D+01 -0.846433D+01 -0.263444D+02
      3   0.442246D+01  0.468419D+01  0.312595D+01  0.629142D+01  0.127665D+02
               136           137           138           139           140 
      1   0.205758D+01  0.140320D+01 -0.226489D+01  0.410282D+00  0.827926D+01
      2   0.221013D+01 -0.722417D+00 -0.209097D+01 -0.787028D+00  0.582325D+01
      3   0.515599D+01  0.510541D+01 -0.173855D+01  0.380747D+01  0.183110D+02
               141           142           143           144           145 
      1  -0.720298D+01 -0.590986D+00 -0.519976D+01  0.722816D+01  0.198390D+00
      2  -0.538624D+01 -0.193902D+01 -0.568305D+01  0.599735D+01  0.720099D+01
      3  -0.746790D+01 -0.186776D+01 -0.117091D+02  0.858912D+01 -0.730839D+01
               146           147           148           149           150 
      1  -0.170191D+01  0.188550D+01 -0.123750D+01  0.773624D+00 -0.132489D+01
      2  -0.523050D+00  0.541824D+01 -0.994462D+00  0.187658D+01 -0.588859D+00
      3  -0.591905D+01  0.692978D-01 -0.159625D+01  0.782426D+00 -0.129788D+01
               151           152           153           154           155 
      1   0.133946D+01 -0.481464D+00 -0.489094D+00  0.328504D+01  0.159370D+01
      2   0.249997D+01 -0.169040D+01 -0.244784D+01 -0.910536D+01 -0.551031D-01
      3   0.103179D+01 -0.112194D+01  0.732594D+00 -0.628822D+01 -0.237245D+02
               156           157           158           159           160 
      1  -0.399217D+01  0.866821D+01  0.251533D+01  0.112765D+01 -0.194553D+01
      2   0.211073D+02  0.235191D+01 -0.118867D+01  0.364572D+01  0.943316D+01
      3  -0.101893D+01 -0.157289D+02 -0.106514D+02 -0.198997D+01 -0.516492D+00
               161           162           163           164           165 
      1   0.328897D+01 -0.167700D+00  0.404494D+01  0.164718D+01  0.951150D+00
      2   0.325874D+01  0.204587D+01 -0.722719D+01 -0.262676D+01  0.281636D+00
      3  -0.268607D+01 -0.214833D+01 -0.303600D+01 -0.340802D+01  0.443517D+00
               166           167           168           169           170 
      1   0.392182D+01 -0.209265D+00  0.487662D+01  0.222364D+01  0.748165D+01
      2  -0.244604D+01  0.592401D+01  0.724533D-01 -0.101951D+02  0.602021D+00
      3   0.241341D+01  0.486883D+00 -0.566618D+01  0.969489D+00 -0.224090D+01
               171           172           173           174           175 
      1  -0.167371D+01 -0.461769D+01 -0.143796D+01 -0.166498D+01 -0.473983D+01
      2   0.217408D+02  0.192918D+02  0.129505D+01 -0.441007D+01  0.303763D+01
      3   0.233612D+00  0.248606D+01  0.154791D+01  0.202056D+00  0.461045D+01
               176           177           178           179           180 
      1   0.715287D-01 -0.263419D+01 -0.160904D+01 -0.878852D+00 -0.627265D+00
      2   0.183832D+01 -0.735198D+00 -0.455943D+00  0.482731D+00  0.118697D+01
      3  -0.403007D-01 -0.773405D+00  0.399830D+00  0.984805D+00  0.201564D+00
               181           182           183           184           185 
      1  -0.434477D+00  0.339951D+01 -0.650092D+01 -0.240997D+01 -0.407790D-01
      2   0.609843D+00  0.204819D+01  0.819683D+01 -0.565816D+01  0.229489D+01
      3   0.167458D+02  0.278798D+01 -0.217254D+01 -0.141419D+02  0.773888D+01
               186           187           188           189           190 
      1  -0.112371D+01 -0.114420D+02  0.601349D+01  0.202904D+01  0.216949D+01
      2   0.471647D+01 -0.385699D+01  0.100259D+02 -0.374743D+01 -0.128489D+02
      3  -0.238846D+00  0.159938D+01 -0.306460D+01 -0.420583D+00  0.448483D+01
               191           192           193           194           195 
      1   0.712556D+01  0.136719D+01  0.565286D+01  0.588361D+01  0.292230D+01
      2  -0.403847D+00  0.423271D+01  0.309427D+01 -0.212267D+01 -0.943247D+00
      3   0.182398D+02 -0.328810D+01  0.375788D+02  0.397550D+01 -0.451041D+01
               196           197           198           199           200 
      1  -0.530886D+00  0.118083D+02 -0.162113D+01  0.515730D+00 -0.636792D+01
      2   0.434356D+01 -0.367700D+01 -0.241554D+01  0.148539D+02 -0.141002D+01
      3  -0.598609D+01 -0.366161D+01 -0.357728D+00  0.172795D+02 -0.361862D+02
               201           202           203           204           205 
      1  -0.225414D-01 -0.541551D+00 -0.333918D+01 -0.363125D+01  0.611458D+01
      2   0.142581D+01  0.327749D+01 -0.183882D+01 -0.614736D+01 -0.200667D+02
      3   0.296446D+01  0.256595D+01 -0.100477D+02  0.287947D+01  0.194166D-01
               206           207           208           209           210 
      1   0.295936D+01 -0.114455D+01 -0.183313D+01 -0.638870D+01 -0.155314D+01
      2  -0.161137D+02  0.469596D+01  0.439053D+01 -0.125261D+01  0.128373D+02
      3   0.758666D+01  0.847828D+01 -0.137159D+01 -0.382793D+02  0.322905D+01
               211           212           213           214           215 
      1  -0.657002D-02  0.448765D+00 -0.488435D+01 -0.191716D+01 -0.950934D+00
      2  -0.802935D+00  0.923237D+00  0.701645D+01 -0.691589D+01 -0.125481D+01
      3  -0.104053D+01  0.122284D+02 -0.129782D+01  0.211756D+01  0.385405D+01
               216           217           218           219           220 
      1   0.110011D+01 -0.125251D+01  0.256078D+01  0.126818D+01  0.396283D+01
      2  -0.114073D+01 -0.622270D+01 -0.425581D+01 -0.193505D+01 -0.534659D+01
      3   0.212063D+01 -0.323486D+02  0.114140D+02  0.661777D+01  0.265014D+02
               221           222           223           224           225 
      1   0.342081D+01  0.441919D+01  0.996325D+01  0.642664D+01 -0.717104D-01
      2  -0.444556D+01 -0.397474D+02 -0.173575D+02 -0.284270D+02  0.135364D+02
      3   0.219073D+02  0.212033D+01  0.599022D+01  0.199102D+01  0.294434D+02
               226           227           228           229           230 
      1  -0.364266D+00  0.449681D+00  0.121408D+01 -0.211056D+00  0.381114D+00
      2  -0.569610D+00  0.142741D+00  0.367363D+00  0.550358D+00 -0.183923D+01
      3  -0.735968D+01  0.553810D+01  0.182011D+00  0.564088D+01 -0.197968D+02
               231           232           233           234           235 
      1  -0.445179D+01 -0.433938D+00  0.253938D+01  0.164999D+00  0.150074D+01
      2   0.638775D+00 -0.153652D+00 -0.583028D-01 -0.596162D-01 -0.187713D+01
      3   0.167123D+01  0.401015D+00  0.101013D+01  0.228477D+00  0.376220D+01
               236           237           238           239           240 
      1   0.184563D+00 -0.188789D+01  0.689678D+00 -0.675283D-01 -0.275312D+01
      2  -0.129409D+01  0.204553D+01 -0.207061D+01 -0.230992D+01  0.348726D+01
      3  -0.447104D+01 -0.802528D-01 -0.490410D+01 -0.114443D+02  0.161428D+01
               241           242           243           244           245 
      1   0.207989D+01  0.100786D+01  0.117650D+00 -0.203485D+00  0.581503D+00
      2  -0.265850D+01  0.580515D+00 -0.294354D+00 -0.795132D-01  0.653836D+00
      3  -0.201083D-01  0.159880D+01 -0.120490D+01  0.358959D+01 -0.352295D+01
               246           247           248           249           250 
      1   0.126486D+01  0.406541D+00 -0.416620D+00 -0.390946D+01  0.736007D-01
      2   0.134596D+01  0.184679D+00  0.583667D+00 -0.323630D+01 -0.199794D+01
      3  -0.321894D+00 -0.229526D+01  0.200995D+02 -0.125011D+01 -0.165746D+00
               251           252           253           254           255 
      1   0.179904D+01  0.503737D-01 -0.745957D+00  0.272691D+00  0.924874D+00
      2   0.223714D+00  0.176495D+00 -0.674461D+01  0.670737D+00 -0.268088D+01
      3  -0.185826D+01 -0.105690D+00 -0.145843D+01  0.883981D+00 -0.120016D+01
               256           257           258           259           260 
      1  -0.279917D+00 -0.124124D+01 -0.184161D+01 -0.141393D+01  0.210366D+01
      2  -0.378727D+01 -0.105148D+02  0.174890D+02  0.117092D+02  0.165006D+02
      3  -0.752562D+01 -0.166697D+02  0.121623D+02  0.499290D+01  0.130229D+02
               261           262           263           264           265 
      1   0.339585D+01 -0.365788D+00 -0.366795D+00 -0.229503D+00 -0.222228D+01
      2  -0.366113D+02  0.918787D+01  0.320707D+01  0.170447D+01  0.728835D+01
      3  -0.182374D+02 -0.498148D+01 -0.297742D+01 -0.241548D+01 -0.130039D+02
               266           267           268           269           270 
      1  -0.261888D+01 -0.433426D+01 -0.322012D+01 -0.952152D+00 -0.506291D+01
      2   0.122263D+02  0.168146D+02  0.116739D+02  0.159760D+02  0.215314D+02
      3  -0.247745D+02 -0.125258D+02 -0.865955D+01 -0.160100D+02 -0.160950D+02
               271           272           273           274           275 
      1   0.174416D+01 -0.109863D+01  0.926260D-01 -0.138194D+01  0.863324D+00
      2   0.141349D+00  0.442376D+00  0.857901D+01  0.865978D+00  0.374884D+00
      3   0.227148D+02 -0.130409D+02 -0.216039D+01 -0.158891D+02  0.124663D+02
               276           277           278           279 
      1  -0.895231D+00 -0.111076D+01  0.344045D+00  0.159379D+00
      2  -0.276877D+01  0.866635D+01  0.255473D+00 -0.228312D+01
      3   0.820622D+00 -0.207147D+01  0.173885D+00  0.679813D-03
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.917353D+02 -0.459693D+02  0.110542D+02  0.892897D+02 -0.508491D+01
      2   0.522262D+02  0.280871D+02 -0.817907D+01 -0.444006D+02  0.889604D+01
      3   0.395091D+02  0.178822D+02 -0.287518D+01 -0.448891D+02 -0.381113D+01
      4  -0.425866D+02  0.307089D+01  0.243078D+01 -0.378950D+01  0.824032D+01
      5   0.130419D+02  0.196722D+01 -0.291975D+01  0.261158D+01  0.164934D+01
      6   0.817845D+00 -0.456247D+01 -0.868849D-02  0.361931D+01  0.207083D+01
                 6             7             8             9            10 
      1  -0.931592D+01  0.167566D+01  0.469107D+01 -0.104294D+02  0.763775D+02
      2   0.351938D+01 -0.256785D+01 -0.386705D+01 -0.257010D+00 -0.299178D+02
      3   0.579653D+01  0.892189D+00 -0.824017D+00  0.106864D+02 -0.464597D+02
      4  -0.308631D+00  0.493594D+01 -0.157711D+00 -0.415635D+00  0.371078D+01
      5  -0.155987D+01 -0.609303D+00  0.142751D+01  0.295635D+01 -0.102223D+02
      6  -0.940593D+00 -0.305077D+01  0.383654D+01  0.207806D+01  0.379082D+00
                11            12            13            14            15 
      1  -0.117928D+02 -0.789053D+01 -0.104902D+03 -0.287214D+02  0.117672D+02
      2   0.848025D+01  0.144243D+01  0.489448D+02  0.240166D+02 -0.831807D+01
      3   0.331250D+01  0.644810D+01  0.559572D+02  0.470479D+01 -0.344917D+01
      4   0.270591D+01 -0.184215D+01 -0.207645D+02 -0.151257D+02  0.237440D+01
      5  -0.533891D+00 -0.896633D+01 -0.428218D-01 -0.283848D+00  0.107410D+01
      6  -0.808357D+00 -0.104866D+00 -0.164873D+01 -0.568180D+01 -0.179444D+01
                16            17            18            19            20 
      1   0.760073D+00  0.323392D+01 -0.948033D+01  0.578105D+02  0.521176D+02
      2  -0.269572D+01 -0.229397D+01 -0.474145D+00 -0.350354D+02 -0.363110D+02
      3   0.193565D+01 -0.939940D+00  0.995448D+01 -0.227751D+02 -0.158067D+02
      4   0.143687D+01  0.203215D+01 -0.232846D+01  0.401668D+02 -0.750038D+01
      5   0.174117D+00 -0.193802D+01  0.408282D+01 -0.923008D+01 -0.398137D+01
      6  -0.168311D+01  0.485366D+01  0.597273D+00 -0.477621D+00  0.106557D+02
                21            22            23            24            25 
      1  -0.148297D+02 -0.118599D+02  0.220007D+02 -0.719880D+01 -0.647520D+01
      2   0.844050D+01  0.166619D+02 -0.263300D+02  0.351584D+01 -0.393365D+00
      3   0.638920D+01 -0.480200D+01  0.432936D+01  0.368296D+01  0.686857D+01
      4  -0.353659D+01  0.160515D+02  0.138798D+01 -0.123592D+01 -0.108179D+02
      5  -0.124010D+01 -0.396079D+01 -0.105527D+01 -0.519668D+01  0.745742D+01
      6  -0.786155D+00 -0.268901D+01  0.788652D+01  0.515612D+01  0.554247D+00
                26            27            28            29            30 
      1  -0.162984D+02 -0.535375D+01  0.117937D+02 -0.190385D+01  0.856312D+01
      2   0.948356D+01 -0.527597D+01 -0.187460D+02  0.463303D+01 -0.324387D+01
      3   0.681483D+01  0.106297D+02  0.695233D+01 -0.272918D+01 -0.531925D+01
      4  -0.104631D+01 -0.336265D+01 -0.835226D+01  0.103992D+02 -0.140408D+01
      5  -0.779742D+01  0.392784D+01  0.783817D+01 -0.183142D+01  0.731674D+01
      6   0.843853D+01  0.321526D+01  0.185932D+01 -0.470548D+01  0.156084D+01
                31            32            33            34            35 
      1  -0.335367D+02 -0.674452D+02  0.968820D+01  0.137319D+02  0.103161D+02
      2   0.274014D+02  0.578543D+02 -0.105894D+02 -0.774727D+00 -0.750568D+01
      3   0.613534D+01  0.959095D+01  0.901181D+00 -0.129571D+02 -0.281040D+01
      4  -0.372432D+02  0.600407D+01 -0.185572D+01  0.807042D+01 -0.375800D+01
      5   0.887720D+01  0.917387D+00 -0.134125D+00  0.231805D+02  0.475369D+01
      6   0.866879D+00 -0.165100D+02 -0.939088D+00 -0.477251D+00  0.582879D+01
                36            37            38            39            40 
      1  -0.673216D+01 -0.117745D+02 -0.659893D+02  0.114608D+02  0.298414D+02
      2  -0.637365D+01  0.502441D+01  0.503881D+02 -0.313209D+01 -0.293537D+02
      3   0.131058D+02  0.675007D+01  0.156012D+02 -0.832871D+01 -0.487614D+00
      4  -0.449579D+00 -0.109488D+02 -0.649940D+01  0.497109D+01  0.123992D+02
      5  -0.221715D+01 -0.120442D+01  0.902126D+01  0.529875D+01  0.863103D+00
      6   0.684758D+00  0.640574D+01 -0.919124D+01  0.125742D+02  0.425860D+01
                41            42            43            44            45 
      1   0.426427D+02 -0.608393D+01  0.548308D+01  0.700885D+01 -0.157570D+02
      2  -0.383302D+02  0.714586D+01  0.722766D+01 -0.154525D+00 -0.100544D+01
      3  -0.431255D+01 -0.106193D+01 -0.127107D+02 -0.685432D+01  0.167624D+02
      4  -0.172565D+02  0.364254D+01  0.961445D+01  0.535433D+01  0.766071D+01
      5   0.925107D+00  0.484138D+01  0.161598D+02  0.438233D+01 -0.597993D+01
      6   0.130291D+02 -0.120930D+01  0.181039D+02  0.963956D+01 -0.762513D+01
                46            47            48            49            50 
      1   0.224402D+02  0.508118D+02 -0.139854D+02 -0.110152D+02  0.462781D+01
      2  -0.159801D+02 -0.364212D+02  0.465683D+01  0.964296D+01 -0.143471D+02
      3  -0.646006D+01 -0.143906D+02  0.932856D+01  0.137224D+01  0.971928D+01
      4   0.284935D+01 -0.942554D+01  0.264611D+00  0.739827D+01  0.116539D+02
      5   0.967049D+01 -0.182285D+01 -0.132616D+01  0.180867D+01 -0.114791D+01
      6  -0.147083D+01  0.129721D+02 -0.118858D+02 -0.234613D+01  0.513642D+01
                51            52            53            54            55 
      1  -0.107245D+01 -0.414169D+01 -0.670543D+01 -0.221664D+02  0.116806D+02
      2   0.500759D+01  0.627591D+00  0.143634D+02  0.100956D+02 -0.140166D+02
      3  -0.393514D+01  0.351410D+01 -0.765799D+01  0.120708D+02  0.233599D+01
      4  -0.167815D+01 -0.136124D+01  0.242531D+01 -0.346536D+01  0.326165D+02
      5  -0.785491D-01  0.386468D+01  0.105077D-01  0.410442D+01 -0.119869D+02
      6   0.909535D+01 -0.546491D+01  0.220005D+02 -0.481672D+01 -0.265583D+01
                56            57            58            59            60 
      1   0.539703D+02 -0.101400D+02  0.331661D+01  0.234747D+02 -0.415838D+01
      2  -0.340602D+02  0.444150D+01  0.809657D+00 -0.247478D+02  0.415362D+01
      3  -0.199101D+02  0.569855D+01 -0.412627D+01  0.127310D+01  0.476244D-02
      4  -0.366637D+02 -0.503429D+00  0.299718D+02  0.151511D+02 -0.135666D+01
      5  -0.118545D+01 -0.109201D+02 -0.430442D+01 -0.182779D+00  0.583556D+01
      6   0.436991D+01 -0.966294D+01 -0.133272D+01  0.542549D+01  0.848802D+01
                61            62            63            64            65 
      1  -0.357832D+01 -0.992518D+01 -0.202420D+02  0.172535D+01 -0.280845D+00
      2   0.245878D+01  0.102468D+02  0.709567D+01  0.149135D+01 -0.124464D+01
      3   0.111954D+01 -0.321573D+00  0.131463D+02 -0.321669D+01  0.152549D+01
      4  -0.529298D+01  0.813345D+01  0.122968D+02 -0.715458D+01  0.935621D+01
      5   0.149317D+01  0.137613D+02  0.173793D+01 -0.247825D+01  0.155903D+01
      6   0.416778D-01  0.202831D+02  0.325994D+00  0.190506D+01 -0.158032D+01
                66            67            68            69            70 
      1  -0.650609D+00  0.406942D+01 -0.212408D+02 -0.670904D-01 -0.253291D+01
      2   0.263431D+00 -0.753675D+01  0.272164D+02  0.433636D-01  0.178526D+01
      3   0.387178D+00  0.346733D+01 -0.597555D+01  0.237268D-01  0.747648D+00
      4   0.541997D+00  0.124448D+02 -0.180121D+02 -0.284010D+00  0.490705D+00
      5   0.928780D+00  0.147860D+01 -0.419224D+00 -0.214927D+01  0.598338D+00
      6  -0.637781D+00 -0.231484D+01  0.430122D+01  0.487220D+01 -0.214962D+01
                71            72            73            74            75 
      1   0.239757D+01 -0.305071D+01  0.509963D+01 -0.355429D+01  0.135806D+01
      2  -0.212011D+01  0.313926D+01  0.486875D+01  0.109122D+02 -0.125462D+01
      3  -0.277462D+00 -0.885440D-01 -0.996837D+01 -0.735792D+01 -0.103440D+00
      4   0.670666D+00 -0.880138D+00  0.283649D+02  0.238760D+02 -0.533479D+01
      5   0.635652D-01 -0.944484D-01 -0.881288D+01 -0.554966D+01  0.547934D+01
      6   0.234027D+01 -0.428425D+00 -0.763185D+01 -0.696856D+01  0.468427D+01
                76            77            78            79            80 
      1  -0.780848D+01 -0.146409D+02  0.408444D+01 -0.241466D+00  0.244236D+01
      2   0.166169D+02  0.253318D+02 -0.387378D+01 -0.267571D+01 -0.310276D+01
      3  -0.880842D+01 -0.106909D+02 -0.210657D+00  0.291718D+01  0.660407D+00
      4   0.273054D+02  0.308922D+02 -0.600394D+01 -0.662286D+01 -0.558955D+01
      5  -0.597190D+01 -0.641618D+01  0.460546D+01  0.202027D+01  0.366902D+01
      6  -0.892892D+01 -0.108782D+02  0.711189D+01  0.833952D+00  0.474088D+01
                81            82            83            84            85 
      1  -0.699933D+00 -0.518481D+01  0.967712D+01 -0.407607D+00  0.660936D+01
      2   0.159473D+01  0.805679D+01 -0.137947D+02  0.492784D+00 -0.815432D+01
      3  -0.894795D+00 -0.287198D+01  0.411761D+01 -0.851766D-01  0.154496D+01
      4   0.390652D+01 -0.522755D+01  0.132450D+02 -0.122200D+01  0.782620D+01
      5  -0.188775D+01  0.156302D+01 -0.260759D+01  0.204330D+01 -0.156659D+01
      6  -0.241975D+01 -0.172356D+01  0.203917D+01 -0.205080D+01  0.212709D+01
                86            87            88            89            90 
      1  -0.538917D+02  0.593340D+01 -0.257681D+00  0.412284D+01 -0.238094D+01
      2   0.722457D+02 -0.565300D+01  0.765213D+00 -0.500960D+01  0.283124D+01
      3  -0.183539D+02 -0.280403D+00 -0.507532D+00  0.886756D+00 -0.450300D+00
      4  -0.147650D+02  0.161618D+01 -0.873316D+00 -0.370447D+00 -0.154962D+01
      5   0.476602D+01 -0.151489D+01  0.971894D+00 -0.166957D+01  0.175821D+00
      6  -0.140354D+02  0.913389D+01  0.750586D+00  0.460189D+01 -0.147837D+01
                91            92            93            94            95 
      1  -0.324653D+02 -0.192322D+02 -0.114816D+02 -0.109250D+02 -0.120025D+01
      2   0.268128D+02  0.162126D+02  0.574858D+01  0.116075D+02  0.785888D+00
      3   0.565247D+01  0.301960D+01  0.573306D+01 -0.682564D+00  0.414366D+00
      4  -0.137045D+02 -0.122061D+02  0.176585D+01 -0.231861D+02  0.128882D+02
      5  -0.150371D+02  0.166196D+01 -0.249173D+02  0.612963D+01  0.275998D+02
      6   0.216760D+01  0.483695D+01  0.381175D+00  0.773083D+01 -0.417449D+01
                96            97            98            99           100 
      1   0.868299D+01 -0.280173D+02 -0.429086D+00 -0.199383D+02 -0.623327D+02
      2  -0.101230D+02  0.197927D+02 -0.481691D+01  0.134443D+02  0.343304D+02
      3   0.144005D+01  0.822455D+01  0.524599D+01  0.649400D+01  0.280023D+02
      4   0.272766D+02  0.908899D+00  0.219875D+02 -0.103623D+02  0.297746D+02
      5  -0.407400D+01 -0.420702D+02 -0.124753D+02 -0.484057D+00  0.303338D+02
      6  -0.960469D+01 -0.463125D+01 -0.318281D+01  0.678196D+01 -0.713103D+01
               101           102           103           104           105 
      1   0.271844D+02  0.281206D+02  0.830397D+01  0.606843D+01 -0.524924D+01
      2  -0.195442D+02 -0.593740D+01 -0.961502D+01 -0.563480D+01  0.199935D+02
      3  -0.764025D+01 -0.221832D+02  0.131106D+01 -0.433626D+00 -0.147443D+02
      4   0.106501D+02 -0.123834D+01  0.175145D+02 -0.159943D+02 -0.268746D+02
      5  -0.612581D+00  0.208059D+02  0.191086D+01 -0.283635D+02  0.706898D+01
      6  -0.407903D+01 -0.129978D+02 -0.755498D+01  0.145461D+02 -0.119806D+01
               106           107           108           109           110 
      1   0.193741D+02  0.559059D+00  0.387828D+02 -0.887447D+02 -0.132651D+02
      2  -0.697937D+01  0.157457D+02 -0.155107D+02  0.344395D+02  0.785088D+00
      3  -0.123947D+02 -0.163048D+02 -0.232721D+02  0.543052D+02  0.124800D+02
      4   0.218469D+01 -0.184446D+02  0.908289D+01 -0.237820D+02 -0.207060D+02
      5   0.150728D+02  0.153102D+02  0.137323D+02 -0.157647D+02 -0.629407D+01
      6  -0.847088D+01 -0.676355D+01 -0.153822D+02 -0.228985D+01 -0.319505D+01
               111           112           113           114           115 
      1  -0.835950D+01 -0.107745D+02 -0.833442D+01 -0.483472D+01  0.345413D+02
      2   0.179901D+01  0.100967D+01  0.690464D+01  0.101526D+01 -0.270674D+02
      3   0.656049D+01  0.976478D+01  0.142979D+01  0.381946D+01 -0.747385D+01
      4  -0.459895D+01  0.883002D+01 -0.848077D+01 -0.222133D+01 -0.369467D+01
      5  -0.625424D+01 -0.495861D+01 -0.319385D+01  0.269369D+00  0.313970D+02
      6  -0.194969D+01 -0.444775D+01 -0.289702D+00  0.297224D+01  0.670364D+01
               116           117           118           119           120 
      1   0.419968D+00  0.233707D+02  0.167880D+02  0.977194D+01 -0.638947D+01
      2  -0.215931D+01 -0.755449D+01 -0.125631D+02 -0.707730D+01  0.579703D+01
      3   0.173934D+01 -0.158162D+02 -0.422495D+01 -0.269464D+01  0.592443D+00
      4  -0.543308D+00  0.293156D+01  0.158426D+02  0.123540D+02 -0.548686D+01
      5   0.405986D+01  0.606950D+01 -0.163846D+02 -0.662116D+01  0.173754D+02
      6  -0.196294D+01 -0.113436D+01 -0.573365D+01 -0.319404D+01  0.301383D+01
               121           122           123           124           125 
      1   0.185705D+02  0.230653D+01 -0.129783D+01 -0.811341D+01 -0.596780D+00
      2  -0.120986D+02 -0.139422D+01  0.358449D+01  0.879946D+01  0.472397D+01
      3  -0.647191D+01 -0.912306D+00 -0.228666D+01 -0.686051D+00 -0.412719D+01
      4   0.152157D+02  0.199003D+02 -0.158933D+02 -0.723419D+01 -0.158738D+02
      5  -0.121365D+02 -0.166573D+02  0.144487D+02  0.242547D+02  0.137930D+02
      6  -0.504348D+01 -0.912843D+01  0.912187D+01  0.496971D+01  0.782990D+01
               126           127           128           129           130 
      1   0.224794D+01 -0.667213D+01 -0.980618D+01 -0.212450D+02 -0.196902D+01
      2  -0.110956D+02  0.616764D-01  0.631469D+01  0.431815D+01  0.124266D+01
      3   0.884763D+01  0.661045D+01  0.349149D+01  0.169269D+02  0.726362D+00
      4   0.134655D+02  0.368026D+00 -0.502257D+01 -0.476470D+00 -0.163370D+00
      5  -0.280385D+02 -0.505713D+01 -0.344237D+01 -0.921632D+01  0.589625D+00
      6  -0.850851D+01  0.443458D+01  0.590764D+01  0.107837D+02  0.151742D+01
               131           132           133           134           135 
      1  -0.110053D+02 -0.912886D+01 -0.129106D+02 -0.126441D+02 -0.397741D+02
      2   0.629669D+01  0.360192D+01  0.436737D+01  0.348584D+01 -0.171813D+01
      3   0.470858D+01  0.552694D+01  0.854323D+01  0.915831D+01  0.414922D+02
      4  -0.450154D+01 -0.454193D+01  0.663344D+01 -0.102668D+02 -0.113371D+02
      5  -0.436606D+01 -0.763424D+01  0.404108D+01 -0.154662D+02 -0.414282D+02
      6   0.724256D+01  0.122975D+02  0.112955D+01  0.155509D+02  0.296241D+02
               136           137           138           139           140 
      1   0.626073D+00 -0.975128D+01  0.118684D+01 -0.745829D+01 -0.175287D+02
      2   0.263492D+01  0.910493D+01 -0.316086D+01  0.296184D+01  0.316926D+02
      3  -0.326099D+01  0.646346D+00  0.197402D+01  0.449645D+01 -0.141639D+02
      4  -0.384565D+01 -0.291177D+01 -0.852506D+00  0.744400D+01 -0.282530D+02
      5   0.179294D+01  0.117482D+01 -0.458149D+01  0.126289D+01  0.125023D+02
      6  -0.145582D+01  0.528668D+00  0.349818D+01  0.996087D-01 -0.368377D+01
               141           142           143           144           145 
      1   0.565835D+01  0.515323D+01  0.705965D+01 -0.106821D+02  0.968225D+02
      2  -0.129067D+02 -0.211917D+01 -0.167083D+02  0.112614D+02 -0.491348D+02
      3   0.724836D+01 -0.303406D+01  0.964863D+01 -0.579292D+00 -0.476876D+02
      4   0.104033D+02 -0.762253D+01  0.204698D+02 -0.880586D+01 -0.520867D+02
      5  -0.113043D+02 -0.191937D+01 -0.108898D+02  0.138539D+02 -0.395309D+02
      6   0.744458D+01  0.134406D+01  0.616703D+01 -0.707764D+01  0.105313D+02
               146           147           148           149           150 
      1  -0.190072D+02 -0.145335D+02 -0.932228D+01  0.929157D+01  0.163762D+01
      2   0.563627D+01  0.982260D+01  0.823774D+00 -0.185745D+01 -0.161998D+01
      3   0.133709D+02  0.471088D+01  0.849850D+01 -0.743412D+01 -0.176435D-01
      4   0.247032D+02  0.104169D+02  0.180577D+02 -0.897958D+01 -0.116423D+01
      5   0.104886D+02  0.191138D+02  0.378408D+01 -0.261405D+01 -0.231972D+01
      6  -0.589546D+01 -0.581933D+01 -0.418450D+01  0.109684D+01  0.253008D+01
               151           152           153           154           155 
      1  -0.994920D+01  0.183795D+01  0.605366D+01  0.200938D+03  0.260463D+02
      2   0.783846D+01 -0.291671D+01 -0.557031D+01 -0.942701D+02 -0.913222D+01
      3   0.211074D+01  0.107876D+01 -0.483345D+00 -0.106668D+03 -0.169141D+02
      4   0.541591D+01 -0.704044D+00 -0.661720D+01  0.359470D+02  0.406556D+02
      5   0.172874D+02 -0.582658D+01 -0.103476D+02  0.394687D+02  0.763376D+01
      6  -0.460480D+01  0.330438D+01  0.388091D+01  0.962184D+00  0.495977D+01
               156           157           158           159           160 
      1   0.116341D+02  0.228212D+02  0.345005D+02  0.588566D+00  0.123762D+02
      2  -0.110152D+02 -0.622394D+01 -0.115837D+02 -0.630789D+00 -0.117727D+02
      3  -0.618946D+00 -0.165973D+02 -0.229168D+02  0.422231D-01 -0.603496D+00
      4   0.549782D+01  0.495370D+02  0.252391D+02  0.548056D+01  0.495268D+01
      5   0.373896D+02  0.480669D+01  0.914798D+01  0.522929D+01  0.412377D+02
      6   0.136555D+01  0.937553D+01  0.374420D+01  0.562829D+01  0.244876D+01
               161           162           163           164           165 
      1   0.135896D+01  0.247327D+02  0.508531D+02  0.563322D+01  0.193874D+02
      2  -0.132894D+01 -0.167193D+02 -0.351850D+02 -0.230168D+01 -0.112715D+02
      3  -0.300185D-01 -0.801338D+01 -0.156680D+02 -0.333155D+01 -0.811587D+01
      4   0.292971D+01  0.664671D+01  0.653062D+01  0.610656D+01 -0.943476D+00
      5   0.719246D+01  0.120932D+02  0.349216D+02 -0.407587D+00  0.186587D+02
      6   0.470228D+01  0.194795D+01  0.333704D+01  0.934349D+00  0.506156D+00
               166           167           168           169           170 
      1   0.990927D+01 -0.112225D+02 -0.411681D-01 -0.190316D+01 -0.220039D+01
      2  -0.571015D+01  0.354118D+01  0.547226D+00 -0.178623D+01  0.141999D+01
      3  -0.419912D+01  0.768134D+01 -0.506058D+00  0.368939D+01  0.780400D+00
      4   0.181862D+01 -0.240165D+01  0.938626D+01 -0.182260D+01  0.439046D+01
      5   0.356587D+01  0.837727D+01 -0.110496D+01  0.123589D+02 -0.153923D+00
      6   0.168875D+01  0.183772D+00  0.116000D+02 -0.173709D+01  0.990365D+01
               171           172           173           174           175 
      1  -0.322406D+02 -0.500125D+02 -0.195700D+01  0.131660D+01 -0.773803D+01
      2  -0.110345D+02  0.313371D+02  0.133973D+01  0.710016D+01  0.558715D+01
      3   0.432751D+02  0.186753D+02  0.617267D+00 -0.841676D+01  0.215088D+01
      4  -0.127460D+01 -0.349155D+01 -0.372768D+01  0.243211D+00  0.331053D+00
      5   0.373879D+02 -0.266326D+02  0.450810D+00 -0.158915D+02 -0.271164D+01
      6  -0.747697D+00 -0.298604D+01 -0.281905D+01  0.646767D-01 -0.858470D+00
               176           177           178           179           180 
      1  -0.349841D+01  0.584060D+00 -0.147548D+02 -0.882367D+00 -0.897052D+01
      2   0.221145D+01  0.891323D+00  0.142156D+02  0.902014D+00  0.582527D+01
      3   0.128696D+01 -0.147538D+01  0.539140D+00 -0.196473D-01  0.314525D+01
      4  -0.224255D+00  0.229175D+01 -0.166013D+01 -0.690235D+00 -0.183537D+00
      5   0.213256D+01 -0.227665D+01 -0.145757D+02  0.854428D-01 -0.578568D+01
      6  -0.934091D+00  0.241358D+01 -0.807592D+00  0.412786D+00 -0.906971D+00
               181           182           183           184           185 
      1  -0.744990D+00 -0.566524D+02  0.832377D+01  0.858783D+02  0.320204D+02
      2   0.335141D+01  0.391177D+02 -0.356762D+01 -0.611125D+02 -0.258543D+02
      3  -0.260642D+01  0.175347D+02 -0.475615D+01 -0.247658D+02 -0.616608D+01
      4  -0.254592D+02  0.414824D+02  0.407248D+01  0.262587D+02 -0.338896D+02
      5   0.122385D+02  0.493979D+01  0.152300D+02 -0.517353D+01  0.608561D+01
      6   0.568462D+01  0.738006D+00  0.113809D+02  0.422237D+01  0.495931D+01
               186           187           188           189           190 
      1  -0.942064D+01 -0.358821D+01  0.683780D+01  0.132457D+01  0.155645D+03
      2   0.804251D+01  0.713983D+01 -0.212533D+01 -0.925114D+01 -0.855376D+02
      3   0.137812D+01 -0.355162D+01 -0.471248D+01  0.792657D+01 -0.701078D+02
      4   0.388543D+01  0.755431D+01  0.314851D+01  0.154069D+02  0.781485D+01
      5   0.112762D+02  0.277916D+02  0.157141D+02 -0.766239D+01 -0.262220D+01
      6   0.261750D+01  0.153080D+02  0.862555D+01 -0.352040D+01  0.280507D+01
               191           192           193           194           195 
      1   0.282865D+02 -0.143785D+02 -0.286093D+02 -0.296060D+02  0.894847D+01
      2  -0.163987D+02  0.433746D+01  0.283078D+02  0.310001D+02 -0.997723D+01
      3  -0.118878D+02  0.100411D+02  0.301480D+00 -0.139405D+01  0.102876D+01
      4   0.324070D+02 -0.399487D+01 -0.267687D+02  0.598321D+02 -0.337003D+01
      5  -0.523112D+01  0.964349D+01  0.102374D+02 -0.631194D+01 -0.151842D+01
      6   0.221267D+01 -0.526152D+01  0.911115D+00 -0.426284D+01 -0.509990D+01
               196           197           198           199           200 
      1  -0.403141D+01  0.302509D+01  0.249960D+02 -0.113911D+03 -0.267876D+01
      2   0.135955D+01 -0.298142D+01 -0.227760D+02  0.495882D+02 -0.975487D+00
      3   0.267187D+01 -0.436760D-01 -0.222006D+01  0.643223D+02  0.365424D+01
      4   0.696430D+01 -0.926308D+01  0.510206D+00 -0.598752D+01 -0.348768D+02
      5   0.512755D+02  0.585937D+01 -0.607652D+01  0.114038D+02  0.125590D+01
      6  -0.217350D+01  0.444976D+01  0.357435D+01 -0.304430D+01  0.293013D+01
               201           202           203           204           205 
      1   0.891374D+01 -0.820847D+02 -0.835815D+01  0.514695D+01  0.209381D+02
      2  -0.372127D+01  0.529583D+02 -0.863590D+01 -0.130408D+01 -0.121659D+02
      3  -0.519246D+01  0.291264D+02  0.169941D+02 -0.384287D+01 -0.877216D+01
      4   0.124610D+01 -0.351685D+01 -0.183443D+02 -0.991516D+00 -0.194441D+01
      5   0.361521D+01  0.509574D+01  0.223498D+00 -0.132066D+02  0.377409D+01
      6   0.599461D+00 -0.381342D+01  0.429167D+01  0.794918D+01 -0.270752D+01
               206           207           208           209           210 
      1  -0.488061D+01 -0.196772D+02 -0.190096D+02 -0.336181D+02  0.100924D+02
      2   0.651609D+01  0.231098D+01  0.960837D+01  0.186436D+02 -0.103463D+01
      3  -0.163548D+01  0.173662D+02  0.940120D+01  0.149745D+02 -0.905776D+01
      4   0.283332D+01 -0.243899D+02 -0.270693D+02  0.758595D+01  0.490115D+01
      5  -0.262366D+02  0.101394D+02  0.346614D+01  0.496730D+01  0.237009D+02
      6   0.161858D+02 -0.713177D+00  0.797739D+00 -0.252867D+01  0.478384D+01
               211           212           213           214           215 
      1   0.156350D+01  0.118529D+02  0.140913D+01  0.438379D+01  0.195546D+01
      2  -0.546740D+01 -0.357695D+01  0.198228D+01 -0.110319D+01 -0.693756D+00
      3   0.390390D+01 -0.827597D+01 -0.339141D+01 -0.328060D+01 -0.126170D+01
      4   0.351494D+02 -0.170783D+02 -0.201623D+00 -0.778904D+00  0.172864D+00
      5  -0.360308D-01  0.190875D+01  0.116229D+02  0.624934D+01 -0.564492D+01
      6  -0.671905D+00  0.217520D+01  0.767794D+01 -0.306061D+01  0.391387D+01
               216           217           218           219           220 
      1  -0.111470D+01 -0.617544D+02  0.507760D+02 -0.732611D+00  0.553641D+02
      2   0.117119D+01  0.341537D+02 -0.273187D+02 -0.128663D+01 -0.270126D+02
      3  -0.564923D-01  0.276006D+02 -0.234573D+02  0.201924D+01 -0.283515D+02
      4  -0.649817D+01  0.505680D+02 -0.514053D+01 -0.134667D+02 -0.346525D+02
      5  -0.432728D+01  0.321877D-01 -0.141996D+02 -0.967816D+01 -0.164111D+02
      6  -0.138726D+01 -0.581300D+01 -0.635969D+00 -0.112023D+01 -0.101986D+01
               221           222           223           224           225 
      1  -0.115513D+02 -0.213691D+02 -0.290653D+01 -0.168034D+02  0.216724D+01
      2   0.500570D+01  0.179495D+01 -0.318440D+01  0.247847D+01  0.164385D+01
      3   0.654556D+01  0.195741D+02  0.609093D+01  0.143249D+02 -0.381108D+01
      4  -0.240600D+02 -0.101454D+02 -0.137775D+02 -0.985208D+01 -0.484439D+02
      5  -0.111190D+02 -0.751216D+02 -0.247034D+02 -0.501110D+02  0.222838D+02
      6  -0.124504D+01 -0.153700D+02 -0.955645D+01 -0.113878D+02  0.757803D+01
               226           227           228           229           230 
      1  -0.556701D+01  0.145114D+02 -0.494886D+00  0.555456D+01 -0.495008D+02
      2   0.661582D+01 -0.143226D+02  0.545873D+00 -0.493284D+01  0.618260D+02
      3  -0.104881D+01 -0.188810D+00 -0.509874D-01 -0.621719D+00 -0.123252D+02
      4   0.125869D+01  0.424892D+01 -0.761746D+00  0.271627D+01  0.194966D+02
      5   0.276866D+00 -0.109957D+01  0.122874D+01 -0.164620D+00  0.120852D+01
      6  -0.212783D+00 -0.233404D+00 -0.157046D+01  0.422878D+00 -0.299799D+01
               231           232           233           234           235 
      1   0.388086D+01  0.211572D+00  0.285075D+01 -0.190215D+01  0.386192D+02
      2  -0.387274D+01 -0.713193D-01 -0.381094D+01  0.254482D+01 -0.136753D+02
      3  -0.812501D-02 -0.140252D+00  0.960186D+00 -0.642669D+00 -0.249439D+02
      4  -0.124144D+01 -0.457655D+00 -0.229999D+01 -0.113282D+01  0.339454D+02
      5   0.180873D+01  0.171429D+01 -0.531134D+00 -0.132461D+00 -0.771048D+01
      6   0.700651D+01 -0.589218D-01  0.296571D+01 -0.754159D+00 -0.324772D+01
               236           237           238           239           240 
      1   0.143935D+02 -0.527486D+01  0.188238D+02  0.791151D+01 -0.214136D+01
      2  -0.114650D+01  0.206953D+01  0.149115D+01  0.106428D+02 -0.438508D+00
      3  -0.132470D+02  0.320533D+01 -0.203150D+02 -0.185543D+02  0.257987D+01
      4   0.258050D+02 -0.553565D+01  0.388792D+02  0.403584D+02 -0.725078D+01
      5  -0.398115D+01  0.446628D+01 -0.634282D+01 -0.487923D+01  0.582845D+01
      6  -0.244344D+01  0.237959D+01 -0.408431D+01 -0.458790D+01  0.488662D+01
               241           242           243           244           245 
      1  -0.701252D+01 -0.240719D+01 -0.194008D+00  0.137224D+01 -0.642796D+01
      2   0.158265D+01 -0.645759D+00  0.974856D+00  0.460785D+01 -0.226572D+01
      3   0.542987D+01  0.305294D+01 -0.780848D+00 -0.598009D+01  0.869368D+01
      4  -0.843463D+01 -0.707732D+01  0.344931D+01 -0.198254D+02  0.210783D+02
      5   0.376701D-01  0.230364D+01 -0.144374D+01  0.247503D+01 -0.137855D+01
      6   0.611409D-01  0.216443D+01 -0.119952D+01 -0.891440D+00  0.437204D-01
               246           247           248           249           250 
      1   0.959576D+00 -0.285342D+01 -0.152205D+02  0.950875D+00  0.494834D+00
      2  -0.469547D+00 -0.886826D+01  0.331140D+02 -0.786185D+00 -0.256985D-01
      3  -0.490030D+00  0.117217D+02 -0.178935D+02 -0.164690D+00 -0.469136D+00
      4  -0.290759D+00  0.286125D+02 -0.542357D+02  0.284951D+01 -0.842820D+00
      5   0.290215D+01 -0.298827D+01  0.609434D+01 -0.612928D+01  0.211184D+01
      6  -0.177000D+01  0.153809D+01 -0.317554D+01  0.637593D+01 -0.267949D+01
               251           252           253           254           255 
      1   0.214509D+01 -0.130947D+01  0.228891D+01  0.233894D+01 -0.143604D+02
      2  -0.227580D+01  0.267956D+01 -0.269133D+01 -0.119085D+01  0.572337D+01
      3   0.130709D+00 -0.137009D+01  0.402421D+00 -0.114809D+01  0.863703D+01
      4   0.319005D+01 -0.178214D+01  0.661165D+00  0.545974D-02 -0.183791D+01
      5  -0.792858D+00  0.272209D+00 -0.117411D+02 -0.123677D+01 -0.553939D+00
      6   0.279978D+01 -0.830341D+00 -0.225315D+01  0.346010D+00 -0.114865D+01
               256           257           258           259           260 
      1   0.973519D+01  0.259696D+01  0.809422D+00 -0.324470D+02 -0.156842D+00
      2  -0.593818D+01 -0.611991D+00  0.202853D+01  0.223230D+02  0.291543D+01
      3  -0.379701D+01 -0.198497D+01 -0.283796D+01  0.101240D+02 -0.275859D+01
      4   0.204749D+02  0.255159D+02 -0.208834D+02 -0.145226D+02 -0.202342D+02
      5  -0.131108D+02 -0.203646D+02  0.344958D+02  0.370289D+02  0.305602D+02
      6  -0.478072D+01 -0.850177D+01  0.119540D+02  0.800702D+01  0.110471D+02
               261           262           263           264           265 
      1   0.809779D+00  0.204181D+02  0.874384D+01  0.139344D+02  0.254645D+02
      2  -0.150809D+02 -0.896668D+01 -0.329339D+01 -0.673599D+01 -0.965943D+01
      3   0.142711D+02 -0.114514D+02 -0.545045D+01 -0.719845D+01 -0.158051D+02
      4   0.296274D+02  0.105619D+02  0.813727D+01  0.803013D+01  0.349666D+02
      5  -0.691382D+02  0.166938D+02  0.760803D+01  0.446680D+01  0.188804D+02
      6  -0.150286D+02  0.348849D+01  0.100275D+01 -0.467858D-01  0.462715D+01
               266           267           268           269           270 
      1   0.142958D+02  0.917593D+01  0.424084D+02  0.119933D+02  0.970716D+01
      2   0.258830D+00 -0.459485D+00 -0.207040D+02 -0.282916D+01 -0.695574D+01
      3  -0.145547D+02 -0.871645D+01 -0.217044D+02 -0.916415D+01 -0.275142D+01
      4   0.425929D+02  0.245185D+02  0.249331D+02  0.282291D+02  0.292621D+02
      5   0.256825D+02  0.328993D+02  0.311698D+02  0.308408D+02  0.428136D+02
      6   0.661522D+01  0.836271D+01  0.747772D+01  0.850760D+01  0.838038D+01
               271           272           273           274           275 
      1   0.184273D+03 -0.345411D+02 -0.118266D+02 -0.731764D+02  0.281807D+02
      2  -0.963213D+02  0.182261D+02  0.734869D+01  0.378524D+02 -0.133760D+02
      3  -0.879517D+02  0.163150D+02  0.447792D+01  0.353240D+02 -0.148047D+02
      4  -0.380829D+02  0.212277D+02  0.370933D+01  0.351293D+02 -0.241742D+02
      5  -0.163076D+02  0.405246D+01  0.175849D+02  0.797793D+01 -0.184623D+01
      6   0.344283D+01 -0.163700D+01 -0.754977D+00 -0.279231D+01  0.214668D+01
               276           277           278           279 
      1   0.592347D+01 -0.833318D+01  0.316450D+01  0.173809D+02
      2  -0.329571D+01  0.614127D+01 -0.144473D+01 -0.104822D+02
      3  -0.262775D+01  0.219191D+01 -0.171977D+01 -0.689873D+01
      4  -0.172876D+01  0.366516D+01  0.204251D+00 -0.967606D+00
      5  -0.598093D+01  0.254033D+02 -0.877086D+00 -0.609331D+01
      6   0.224351D+01 -0.104341D+01  0.262305D+01  0.543599D-01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 02:50:18 2021, MaxMem=  5368709120 cpu:          143793.9 elap:           17987.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.51748 -19.51690 -19.45911 -10.57404 -10.51853
 Alpha  occ. eigenvalues --  -10.50179 -10.47041 -10.46939 -10.46791 -10.46431
 Alpha  occ. eigenvalues --  -10.46374 -10.46250 -10.46151 -10.45926 -10.45833
 Alpha  occ. eigenvalues --  -10.44873 -10.44555  -1.24651  -1.22233  -1.15598
 Alpha  occ. eigenvalues --   -1.04258  -0.99609  -0.94999  -0.93230  -0.89198
 Alpha  occ. eigenvalues --   -0.88669  -0.83810  -0.80525  -0.77028  -0.74735
 Alpha  occ. eigenvalues --   -0.74446  -0.72828  -0.67021  -0.66154  -0.65225
 Alpha  occ. eigenvalues --   -0.63313  -0.60826  -0.60247  -0.59004  -0.58381
 Alpha  occ. eigenvalues --   -0.57524  -0.56871  -0.55427  -0.54705  -0.53552
 Alpha  occ. eigenvalues --   -0.53096  -0.52881  -0.51664  -0.49853  -0.48986
 Alpha  occ. eigenvalues --   -0.48711  -0.47674  -0.46298  -0.45740  -0.43993
 Alpha  occ. eigenvalues --   -0.43362  -0.43120  -0.40790  -0.38250  -0.34462
 Alpha  occ. eigenvalues --   -0.31044
 Alpha virt. eigenvalues --   -0.02004  -0.01075  -0.00977  -0.00093   0.00201
 Alpha virt. eigenvalues --    0.00347   0.00642   0.01157   0.01552   0.01814
 Alpha virt. eigenvalues --    0.02250   0.03206   0.03494   0.04161   0.04350
 Alpha virt. eigenvalues --    0.04510   0.04846   0.05636   0.06085   0.06579
 Alpha virt. eigenvalues --    0.06788   0.07278   0.07747   0.08120   0.08628
 Alpha virt. eigenvalues --    0.08804   0.09334   0.09452   0.09943   0.10175
 Alpha virt. eigenvalues --    0.10596   0.11063   0.11192   0.11523   0.11932
 Alpha virt. eigenvalues --    0.12476   0.12724   0.12784   0.12984   0.13165
 Alpha virt. eigenvalues --    0.13386   0.13737   0.14040   0.14323   0.14593
 Alpha virt. eigenvalues --    0.15200   0.15807   0.15976   0.16182   0.16656
 Alpha virt. eigenvalues --    0.17103   0.17943   0.18091   0.18502   0.18747
 Alpha virt. eigenvalues --    0.19187   0.19434   0.19505   0.20903   0.21820
 Alpha virt. eigenvalues --    0.22131   0.22403   0.23265   0.23479   0.23697
 Alpha virt. eigenvalues --    0.24111   0.24793   0.25183   0.25787   0.26156
 Alpha virt. eigenvalues --    0.26406   0.26756   0.26936   0.27305   0.27373
 Alpha virt. eigenvalues --    0.27781   0.27925   0.28472   0.28762   0.29041
 Alpha virt. eigenvalues --    0.29518   0.29832   0.30267   0.30383   0.30727
 Alpha virt. eigenvalues --    0.31149   0.31797   0.31912   0.32461   0.32585
 Alpha virt. eigenvalues --    0.33007   0.33666   0.33836   0.34198   0.34508
 Alpha virt. eigenvalues --    0.34873   0.35308   0.35618   0.35779   0.36580
 Alpha virt. eigenvalues --    0.36704   0.36899   0.37362   0.38061   0.38469
 Alpha virt. eigenvalues --    0.38602   0.38744   0.39594   0.40194   0.40372
 Alpha virt. eigenvalues --    0.41385   0.41647   0.42007   0.42122   0.42834
 Alpha virt. eigenvalues --    0.43256   0.43834   0.44327   0.44664   0.45023
 Alpha virt. eigenvalues --    0.45290   0.45488   0.46431   0.46578   0.47356
 Alpha virt. eigenvalues --    0.47886   0.48250   0.48802   0.49406   0.50355
 Alpha virt. eigenvalues --    0.50994   0.51344   0.51781   0.52088   0.52446
 Alpha virt. eigenvalues --    0.52735   0.52965   0.53761   0.54046   0.54720
 Alpha virt. eigenvalues --    0.55034   0.55516   0.55865   0.56281   0.56417
 Alpha virt. eigenvalues --    0.56855   0.57114   0.57740   0.58256   0.58796
 Alpha virt. eigenvalues --    0.59098   0.59451   0.60243   0.60948   0.61062
 Alpha virt. eigenvalues --    0.61418   0.61687   0.61868   0.62319   0.62868
 Alpha virt. eigenvalues --    0.63050   0.63450   0.63932   0.64185   0.65123
 Alpha virt. eigenvalues --    0.65295   0.65561   0.66046   0.66948   0.67385
 Alpha virt. eigenvalues --    0.67679   0.68153   0.68658   0.68843   0.69589
 Alpha virt. eigenvalues --    0.69898   0.70224   0.70542   0.71109   0.71232
 Alpha virt. eigenvalues --    0.71811   0.71950   0.72807   0.73134   0.73326
 Alpha virt. eigenvalues --    0.74257   0.74828   0.75138   0.76034   0.76761
 Alpha virt. eigenvalues --    0.77140   0.77679   0.78692   0.78829   0.79306
 Alpha virt. eigenvalues --    0.80055   0.80442   0.80824   0.81042   0.81791
 Alpha virt. eigenvalues --    0.82392   0.82532   0.82660   0.83562   0.83862
 Alpha virt. eigenvalues --    0.84715   0.85134   0.85701   0.86120   0.86690
 Alpha virt. eigenvalues --    0.87438   0.88776   0.89368   0.89466   0.90168
 Alpha virt. eigenvalues --    0.90476   0.91506   0.91668   0.91938   0.92133
 Alpha virt. eigenvalues --    0.93080   0.93417   0.94618   0.95153   0.95744
 Alpha virt. eigenvalues --    0.97582   0.98387   0.98643   0.99648   1.00072
 Alpha virt. eigenvalues --    1.00816   1.02486   1.03323   1.03838   1.04801
 Alpha virt. eigenvalues --    1.06081   1.07117   1.08127   1.08430   1.09656
 Alpha virt. eigenvalues --    1.10275   1.11729   1.12822   1.13065   1.14195
 Alpha virt. eigenvalues --    1.14944   1.15945   1.16703   1.17391   1.19723
 Alpha virt. eigenvalues --    1.20321   1.21310   1.22949   1.23625   1.24193
 Alpha virt. eigenvalues --    1.24793   1.25894   1.26420   1.27248   1.28010
 Alpha virt. eigenvalues --    1.28466   1.30119   1.30793   1.32352   1.34178
 Alpha virt. eigenvalues --    1.34680   1.35612   1.37041   1.38281   1.38525
 Alpha virt. eigenvalues --    1.39267   1.40102   1.40974   1.42140   1.43857
 Alpha virt. eigenvalues --    1.43901   1.44279   1.45495   1.46009   1.47477
 Alpha virt. eigenvalues --    1.47813   1.48454   1.49228   1.50087   1.51291
 Alpha virt. eigenvalues --    1.52268   1.52420   1.52756   1.53038   1.54597
 Alpha virt. eigenvalues --    1.55162   1.56636   1.57326   1.58254   1.58679
 Alpha virt. eigenvalues --    1.58861   1.59876   1.61195   1.62112   1.62614
 Alpha virt. eigenvalues --    1.63270   1.63626   1.65271   1.65655   1.65718
 Alpha virt. eigenvalues --    1.66600   1.68445   1.69062   1.69400   1.70113
 Alpha virt. eigenvalues --    1.70516   1.71479   1.71624   1.72725   1.73125
 Alpha virt. eigenvalues --    1.74162   1.75311   1.75992   1.76785   1.77371
 Alpha virt. eigenvalues --    1.78192   1.79970   1.80296   1.81163   1.81223
 Alpha virt. eigenvalues --    1.82522   1.83541   1.84901   1.85679   1.86313
 Alpha virt. eigenvalues --    1.86400   1.88002   1.88858   1.91065   1.91865
 Alpha virt. eigenvalues --    1.92268   1.92585   1.94989   1.95427   1.96072
 Alpha virt. eigenvalues --    1.96534   1.97105   1.98025   1.98241   1.99680
 Alpha virt. eigenvalues --    2.00290   2.01785   2.02247   2.03314   2.04304
 Alpha virt. eigenvalues --    2.05008   2.05368   2.05616   2.06478   2.07259
 Alpha virt. eigenvalues --    2.07687   2.09209   2.09755   2.10534   2.11155
 Alpha virt. eigenvalues --    2.11930   2.12889   2.13765   2.13900   2.15481
 Alpha virt. eigenvalues --    2.15756   2.17133   2.17993   2.18569   2.19986
 Alpha virt. eigenvalues --    2.20469   2.20896   2.22514   2.22950   2.23849
 Alpha virt. eigenvalues --    2.25024   2.26718   2.27794   2.28837   2.29844
 Alpha virt. eigenvalues --    2.30448   2.31666   2.32923   2.34369   2.35930
 Alpha virt. eigenvalues --    2.36938   2.37744   2.39620   2.40934   2.41516
 Alpha virt. eigenvalues --    2.43525   2.44622   2.46467   2.47026   2.49579
 Alpha virt. eigenvalues --    2.49802   2.50191   2.53112   2.54806   2.56596
 Alpha virt. eigenvalues --    2.57663   2.59490   2.60614   2.63840   2.64955
 Alpha virt. eigenvalues --    2.67224   2.68490   2.69194   2.69842   2.72066
 Alpha virt. eigenvalues --    2.74894   2.76602   2.77063   2.78769   2.83123
 Alpha virt. eigenvalues --    2.84001   2.85519   2.88004   2.89646   2.93777
 Alpha virt. eigenvalues --    2.96564   2.99233   3.02599   3.03175   3.06675
 Alpha virt. eigenvalues --    3.11366   3.20745   3.22527   3.32438   3.38844
 Alpha virt. eigenvalues --    3.41551   3.45161   3.47120   3.48339   3.48689
 Alpha virt. eigenvalues --    3.50295   3.50836   3.52708   3.54259   3.56715
 Alpha virt. eigenvalues --    3.57071   3.58616   3.61118   3.63229   3.68987
 Alpha virt. eigenvalues --    3.73737   3.78344   3.83615   3.86349   3.91883
 Alpha virt. eigenvalues --    4.06136   4.37991   4.61527
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   61.807584 -15.176752 -11.546159   3.379004  -2.759911   1.171283
     2  C  -15.176752  59.942111   1.772747  -1.187934   4.637988 -11.352332
     3  C  -11.546159   1.772747  50.604324 -19.179608   0.558033  -5.644970
     4  C    3.379004  -1.187934 -19.179608  33.925678 -12.349862   4.918228
     5  C   -2.759911   4.637988   0.558033 -12.349862  43.397301 -21.184298
     6  C    1.171283 -11.352332  -5.644970   4.918228 -21.184298  46.572150
     7  C  -15.258154  -7.727893  -1.879963  -5.077242   0.255486  -1.528005
     8  H    1.585817  -0.643762  -5.923712   1.766476   0.757455  -0.317404
     9  H   -0.048106  -0.520459  -0.099948   1.387443  -3.873750   2.274015
    10  H   -0.729117   1.130015  -0.084343  -0.460464   2.352639  -4.026745
    11  C    1.014751  -0.853653  -2.055171  -1.707808  -3.770692  -0.452050
    12  C   -0.035305   0.109980  -0.385901  -0.276208  -0.294301  -0.050542
    13  C    0.063082  -0.100340  -0.861582  -0.041454  -0.139910   0.016067
    14  H   -0.116902  -0.073590   0.233558  -0.116073   0.113613   0.133865
    15  H    0.075438  -0.000709  -0.037432  -0.547977  -0.076755   0.026741
    16  H   -0.056602  -0.024472   0.297329  -0.313731  -0.064023   0.055969
    17  H   -0.041166   0.033738  -0.113703   0.623946   0.045797  -0.045947
    18  O   -0.006854   0.011982   0.033151   0.035115   0.024481  -0.006632
    19  O   -0.000900   0.030170   0.030333  -0.061967   0.001100  -0.008692
    20  H    0.016766  -0.063773   0.009157   0.029985  -0.128110   0.070850
    21  C    0.375157 -15.089523  -0.724996   0.441740   0.183903  -0.989177
    22  C  -12.793761  -0.217659  -0.796108   0.336386   0.294856   0.130159
    23  C   -7.856731 -11.281921  -1.189137   0.288041  -1.626622  -5.858990
    24  O    0.203364  -0.451188   0.000472   0.007795  -0.048796  -0.050315
    25  C   -0.029874   0.107986  -0.028333   0.029046  -0.015852   0.022998
    26  H    2.511550  -0.597217   0.304972   0.214678  -0.046843  -0.063022
    27  H   -0.124811   0.119552  -0.238248   0.028378   0.018732   0.030698
    28  H   -0.167741   2.563671  -0.055597   0.050760   0.197472   0.656059
    29  H   -0.030102  -0.066515  -0.001626  -0.002190   0.001897   0.008546
    30  H   -0.030757  -0.071543  -0.000208  -0.002091   0.001237   0.009704
    31  H    0.016598   0.131652  -0.001632   0.004613  -0.005122  -0.009814
               7          8          9         10         11         12
     1  C  -15.258154   1.585817  -0.048106  -0.729117   1.014751  -0.035305
     2  C   -7.727893  -0.643762  -0.520459   1.130015  -0.853653   0.109980
     3  C   -1.879963  -5.923712  -0.099948  -0.084343  -2.055171  -0.385901
     4  C   -5.077242   1.766476   1.387443  -0.460464  -1.707808  -0.276208
     5  C    0.255486   0.757455  -3.873750   2.352639  -3.770692  -0.294301
     6  C   -1.528005  -0.317404   2.274015  -4.026745  -0.452050  -0.050542
     7  C   63.132781   0.601399   0.086922  -0.340365   0.056807  -0.019851
     8  H    0.601399   4.155230  -0.051741   0.013771   0.141929   0.125484
     9  H    0.086922  -0.051741   3.032660  -0.208509  -0.041682   0.038431
    10  H   -0.340365   0.013771  -0.208509   2.699616   0.039825   0.004764
    11  C    0.056807   0.141929  -0.041682   0.039825  16.775290  -0.042578
    12  C   -0.019851   0.125484   0.038431   0.004764  -0.042578   5.470920
    13  C   -0.000709   0.123053  -0.003032   0.004091  -1.338673   0.009669
    14  H    0.032652   0.010054  -0.010781   0.004749  -1.237358   0.056320
    15  H   -0.030879  -0.072724   0.003588   0.000307   0.802114  -0.080153
    16  H   -0.018518  -0.089264   0.000730   0.001322  -0.294653   0.466423
    17  H    0.006453   0.034232   0.003139  -0.000511  -0.205693  -0.031056
    18  O   -0.004695  -0.000673  -0.001153  -0.000095  -0.168945   0.059488
    19  O   -0.013762   0.004591   0.003516  -0.000078   0.098738   0.015270
    20  H    0.034259  -0.027849   0.007485  -0.002479  -0.021879  -0.027903
    21  C   -8.996191   0.201768  -0.027415   0.122649   0.143206  -0.023260
    22  C    1.707903   0.030129   0.024907   0.207824   0.044637   0.016352
    23  C  -15.455673  -0.104623  -0.094417   1.159289  -0.614209  -0.002157
    24  O   -0.101827  -0.000268  -0.000319  -0.004913  -0.000446  -0.000074
    25  C   -0.129280  -0.000229  -0.000397   0.000003   0.002217   0.000013
    26  H   -4.286022  -0.248283   0.005222  -0.002321   0.040487  -0.006005
    27  H    0.782400   0.012172  -0.001955   0.003768   0.001025  -0.000807
    28  H    0.173265   0.003260  -0.000269  -0.126471  -0.001295  -0.001115
    29  H    0.093443   0.000126   0.000095  -0.000920  -0.000024   0.000023
    30  H    0.097429  -0.000302   0.000082  -0.000958  -0.000133   0.000019
    31  H   -0.062864  -0.000278  -0.000147   0.001821   0.000253   0.000007
              13         14         15         16         17         18
     1  C    0.063082  -0.116902   0.075438  -0.056602  -0.041166  -0.006854
     2  C   -0.100340  -0.073590  -0.000709  -0.024472   0.033738   0.011982
     3  C   -0.861582   0.233558  -0.037432   0.297329  -0.113703   0.033151
     4  C   -0.041454  -0.116073  -0.547977  -0.313731   0.623946   0.035115
     5  C   -0.139910   0.113613  -0.076755  -0.064023   0.045797   0.024481
     6  C    0.016067   0.133865   0.026741   0.055969  -0.045947  -0.006632
     7  C   -0.000709   0.032652  -0.030879  -0.018518   0.006453  -0.004695
     8  H    0.123053   0.010054  -0.072724  -0.089264   0.034232  -0.000673
     9  H   -0.003032  -0.010781   0.003588   0.000730   0.003139  -0.001153
    10  H    0.004091   0.004749   0.000307   0.001322  -0.000511  -0.000095
    11  C   -1.338673  -1.237358   0.802114  -0.294653  -0.205693  -0.168945
    12  C    0.009669   0.056320  -0.080153   0.466423  -0.031056   0.059488
    13  C    7.757617   0.096114   0.053532  -0.059170   0.015981   0.546959
    14  H    0.096114   2.135611  -0.029889   0.114833  -0.063197   0.048757
    15  H    0.053532  -0.029889   1.833670  -0.267247  -0.479651  -0.002743
    16  H   -0.059170   0.114833  -0.267247   1.747474  -0.485811   0.023374
    17  H    0.015981  -0.063197  -0.479651  -0.485811   1.936368  -0.020793
    18  O    0.546959   0.048757  -0.002743   0.023374  -0.020793   7.733834
    19  O   -0.056950   0.037537  -0.000023   0.035906  -0.017725  -0.059381
    20  H   -0.003649  -0.002370   0.002901  -0.000682   0.001314   0.000180
    21  C    0.016441   0.008430  -0.012724   0.003568   0.001271  -0.000646
    22  C    0.003196  -0.001090   0.004007  -0.001628  -0.000083  -0.000144
    23  C   -0.059993  -0.034784  -0.001839  -0.002355   0.001967   0.003437
    24  O   -0.000138  -0.000005  -0.000001   0.000066  -0.000018   0.000000
    25  C    0.000040   0.000097   0.000069   0.000030  -0.000008  -0.000001
    26  H   -0.002505  -0.001972   0.004983  -0.000201  -0.000649  -0.000073
    27  H   -0.000970  -0.000021  -0.000346   0.000083   0.000077   0.000028
    28  H    0.000494   0.000005  -0.000257  -0.000456   0.000190   0.000033
    29  H    0.000041  -0.000004   0.000007  -0.000017   0.000000  -0.000000
    30  H    0.000044  -0.000001   0.000001  -0.000014   0.000002  -0.000001
    31  H    0.000001   0.000010   0.000009   0.000012  -0.000001  -0.000000
              19         20         21         22         23         24
     1  C   -0.000900   0.016766   0.375157 -12.793761  -7.856731   0.203364
     2  C    0.030170  -0.063773 -15.089523  -0.217659 -11.281921  -0.451188
     3  C    0.030333   0.009157  -0.724996  -0.796108  -1.189137   0.000472
     4  C   -0.061967   0.029985   0.441740   0.336386   0.288041   0.007795
     5  C    0.001100  -0.128110   0.183903   0.294856  -1.626622  -0.048796
     6  C   -0.008692   0.070850  -0.989177   0.130159  -5.858990  -0.050315
     7  C   -0.013762   0.034259  -8.996191   1.707903 -15.455673  -0.101827
     8  H    0.004591  -0.027849   0.201768   0.030129  -0.104623  -0.000268
     9  H    0.003516   0.007485  -0.027415   0.024907  -0.094417  -0.000319
    10  H   -0.000078  -0.002479   0.122649   0.207824   1.159289  -0.004913
    11  C    0.098738  -0.021879   0.143206   0.044637  -0.614209  -0.000446
    12  C    0.015270  -0.027903  -0.023260   0.016352  -0.002157  -0.000074
    13  C   -0.056950  -0.003649   0.016441   0.003196  -0.059993  -0.000138
    14  H    0.037537  -0.002370   0.008430  -0.001090  -0.034784  -0.000005
    15  H   -0.000023   0.002901  -0.012724   0.004007  -0.001839  -0.000001
    16  H    0.035906  -0.000682   0.003568  -0.001628  -0.002355   0.000066
    17  H   -0.017725   0.001314   0.001271  -0.000083   0.001967  -0.000018
    18  O   -0.059381   0.000180  -0.000646  -0.000144   0.003437   0.000000
    19  O    7.984751   0.179443  -0.005530   0.003908  -0.003480  -0.000011
    20  H    0.179443   0.767925  -0.000077   0.004394  -0.023902  -0.000055
    21  C   -0.005530  -0.000077  32.753743  -4.403954   2.016699   0.786257
    22  C    0.003908   0.004394  -4.403954  27.117237  -5.884411  -0.565385
    23  C   -0.003480  -0.023902   2.016699  -5.884411  56.269361   0.263509
    24  O   -0.000011  -0.000055   0.786257  -0.565385   0.263509   8.449851
    25  C    0.000019   0.000077   0.057714   0.055080  -0.299903   0.214952
    26  H    0.000003   0.001788   1.663192  -0.398862   0.070975   0.004161
    27  H   -0.000090  -0.000357  -2.903025   1.121740   0.194769  -0.114111
    28  H   -0.000172   0.000427  -0.404393   0.380670  -4.007316  -0.102077
    29  H    0.000003   0.000038   0.042915  -0.308455   0.145648   0.132573
    30  H    0.000004   0.000021   0.056536  -0.328134   0.147586   0.135957
    31  H    0.000002   0.000007  -0.136465   0.728416  -0.372946  -0.464575
              25         26         27         28         29         30
     1  C   -0.029874   2.511550  -0.124811  -0.167741  -0.030102  -0.030757
     2  C    0.107986  -0.597217   0.119552   2.563671  -0.066515  -0.071543
     3  C   -0.028333   0.304972  -0.238248  -0.055597  -0.001626  -0.000208
     4  C    0.029046   0.214678   0.028378   0.050760  -0.002190  -0.002091
     5  C   -0.015852  -0.046843   0.018732   0.197472   0.001897   0.001237
     6  C    0.022998  -0.063022   0.030698   0.656059   0.008546   0.009704
     7  C   -0.129280  -4.286022   0.782400   0.173265   0.093443   0.097429
     8  H   -0.000229  -0.248283   0.012172   0.003260   0.000126  -0.000302
     9  H   -0.000397   0.005222  -0.001955  -0.000269   0.000095   0.000082
    10  H    0.000003  -0.002321   0.003768  -0.126471  -0.000920  -0.000958
    11  C    0.002217   0.040487   0.001025  -0.001295  -0.000024  -0.000133
    12  C    0.000013  -0.006005  -0.000807  -0.001115   0.000023   0.000019
    13  C    0.000040  -0.002505  -0.000970   0.000494   0.000041   0.000044
    14  H    0.000097  -0.001972  -0.000021   0.000005  -0.000004  -0.000001
    15  H    0.000069   0.004983  -0.000346  -0.000257   0.000007   0.000001
    16  H    0.000030  -0.000201   0.000083  -0.000456  -0.000017  -0.000014
    17  H   -0.000008  -0.000649   0.000077   0.000190   0.000000   0.000002
    18  O   -0.000001  -0.000073   0.000028   0.000033  -0.000000  -0.000001
    19  O    0.000019   0.000003  -0.000090  -0.000172   0.000003   0.000004
    20  H    0.000077   0.001788  -0.000357   0.000427   0.000038   0.000021
    21  C    0.057714   1.663192  -2.903025  -0.404393   0.042915   0.056536
    22  C    0.055080  -0.398862   1.121740   0.380670  -0.308455  -0.328134
    23  C   -0.299903   0.070975   0.194769  -4.007316   0.145648   0.147586
    24  O    0.214952   0.004161  -0.114111  -0.102077   0.132573   0.135957
    25  C    4.249995   0.014349  -0.109365   0.035834   0.359115   0.364766
    26  H    0.014349   2.866447  -0.217972   0.009510   0.002924   0.004172
    27  H   -0.109365  -0.217972   3.448141  -0.033503  -0.050515  -0.057308
    28  H    0.035834   0.009510  -0.033503   2.603439   0.010239   0.009422
    29  H    0.359115   0.002924  -0.050515   0.010239   1.336864  -0.100835
    30  H    0.364766   0.004172  -0.057308   0.009422  -0.100835   1.336781
    31  H    0.201375  -0.001409   0.025069  -0.013946  -0.460356  -0.460960
              31
     1  C    0.016598
     2  C    0.131652
     3  C   -0.001632
     4  C    0.004613
     5  C   -0.005122
     6  C   -0.009814
     7  C   -0.062864
     8  H   -0.000278
     9  H   -0.000147
    10  H    0.001821
    11  C    0.000253
    12  C    0.000007
    13  C    0.000001
    14  H    0.000010
    15  H    0.000009
    16  H    0.000012
    17  H   -0.000001
    18  O   -0.000000
    19  O    0.000002
    20  H    0.000007
    21  C   -0.136465
    22  C    0.728416
    23  C   -0.372946
    24  O   -0.464575
    25  C    0.201375
    26  H   -0.001409
    27  H    0.025069
    28  H   -0.013946
    29  H   -0.460356
    30  H   -0.460960
    31  H    2.255543
 Mulliken charges:
               1
     1  C    0.589309
     2  C    0.909643
     3  C    3.004300
     4  C   -0.142706
     5  C   -0.457141
     6  C    1.491603
     7  C   -0.129306
     8  H   -1.085833
     9  H   -0.884156
    10  H   -0.758166
    11  C   -0.354335
    12  C    0.904052
    13  C   -0.037349
    14  H   -0.338167
    15  H   -0.166016
    16  H   -0.068276
    17  H   -0.198464
    18  O   -0.247991
    19  O   -0.196534
    20  H    0.176067
    21  C    0.842185
    22  C   -0.512127
    23  C    0.214129
    24  O   -0.294436
    25  C    0.897466
    26  H   -0.846055
    27  H   -0.933226
    28  H   -0.780142
    29  H   -0.112937
    30  H   -0.110519
    31  H   -0.374873
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.589309
     2  C    0.909643
     3  C    1.918467
     4  C   -0.142706
     5  C   -1.341297
     6  C    0.733437
     7  C   -0.975361
    11  C   -0.692502
    12  C    0.471296
    13  C   -0.037349
    18  O   -0.247991
    19  O   -0.020467
    21  C   -0.091041
    22  C   -0.512127
    23  C   -0.566013
    24  O   -0.294436
    25  C    0.299138
 Electronic spatial extent (au):  <R**2>=           5530.3257
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.9298    Y=             -2.1695    Z=             -1.8636  Tot=              6.5835
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -112.6163   YY=            -90.8219   ZZ=           -105.8180
   XY=              1.8824   XZ=            -13.9861   YZ=             -2.3371
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.5309   YY=             12.2635   ZZ=             -2.7326
   XY=              1.8824   XZ=            -13.9861   YZ=             -2.3371
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=           -271.5618  YYY=              5.5476  ZZZ=              4.4498  XYY=              1.3963
  XXY=            -56.0248  XXZ=            -38.4659  XZZ=             -5.9045  YZZ=             -1.7744
  YYZ=             -0.1520  XYZ=             -0.0719
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6343.4635 YYYY=           -715.7356 ZZZZ=           -426.8449 XXXY=             37.1817
 XXXZ=           -302.4263 YYYX=              1.9913 YYYZ=            -13.5742 ZZZX=            -17.1712
 ZZZY=              4.9473 XXYY=          -1106.9482 XXZZ=          -1139.9648 YYZZ=           -206.5930
 XXYZ=            -25.1528 YYXZ=              1.0014 ZZXY=             -3.0338
 N-N= 1.134204831116D+03 E-N=-4.054968096558D+03  KE= 7.624689027495D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 02:50:19 2021, MaxMem=  5368709120 cpu:               6.3 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.30105515D+00-7.98510625D-01-6.74119362D-01
 Polarizability= 2.81298851D+02 1.06827401D+01 1.60190490D+02
                -1.41450210D+01-4.67206677D+00 1.10313295D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        7.7567    7.7532        6.6824    6.6883
 2     -7.7567   -7.7532        2.6136    2.6179      -64.9330  -64.9139
 3     -6.6824   -6.6883       91.7580   91.7323       -2.6109   -2.6179
 4     -2.6136   -2.6179        0.0000    0.0000       -6.6829   -6.6883
 5    -26.8250  -26.8184        6.6829    6.6883        7.7518    7.7532
 6      2.6109    2.6179       -7.7518   -7.7532        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000      -23.2596  -23.2596       20.0650   20.0649
 2     -7.8536   -7.8537       -0.0000    0.0000       20.0647   20.0649
 3     -7.8537   -7.8537      -23.2596  -23.2596        0.0000    0.0000
 4    -23.2596  -23.2596        7.8537    7.8537     -194.7416 -194.7416
 5    -20.0645  -20.0649      275.1968  275.1968       -7.8536   -7.8537
 6    -80.4552  -80.4552       20.0653   20.0649       23.2597   23.2596
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0116    0.0000      -30.6521  -31.0128      -26.3567  -26.7532
 2     30.6413   31.0128      -10.4714  -10.4715      258.6490  259.6555
 3     26.8053   26.7532     -367.5401 -366.9291       10.2699   10.4715
 4     10.7437   10.4715        0.3232    0.0000       27.5804   26.7532
 5    107.9025  107.2736      -26.5053  -26.7532      -31.6127  -31.0128
 6    -10.6993  -10.4715       31.4201   31.0128        0.0202    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1032    0.0000       54.0672   53.4854      -48.0745  -47.6245
 2    -52.9487  -53.4854       68.3644   66.3470      -12.8274  -12.8297
 3     48.5628   47.6245      -61.3763  -59.5020      -64.7414  -66.3470
 4    -66.5236  -66.3470       -0.6925    0.0000       48.5937   47.6245
 5     72.4845   72.3318      -47.1765  -47.6245       53.6943   53.4854
 6     68.7153   66.3470      -53.7235  -53.4854       -1.5343    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -15.3707  -15.6157       18.3371   18.5123       89.2667   87.9942
 2   -146.9768 -146.7525       59.3090   59.9224       90.2773   87.9942
 3   -146.8275 -146.7525       17.7195   18.5123      132.3851  130.5322
 4    -42.7517  -41.4100      132.5776  131.1368      -46.5131  -46.3997
 5     42.3693   42.5381      -70.0324  -70.0469     -131.3714 -131.1368
 6    117.1245  116.4466      -42.8146  -42.5381       41.7062   41.4100
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.1378   -0.0008   -0.0003    0.0002    0.7352    3.6300
 Low frequencies ---   23.0411   39.2424   46.1715
 Diagonal vibrational polarizability:
       38.1128795     165.5821799      49.1479423
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     23.0249                39.2329                46.1706
 Red. masses --      4.7650                 6.3482                 5.7964
 Frc consts  --      0.0015                 0.0058                 0.0073
 IR Inten    --      2.5808                 2.3412                 0.9175
 RamAct Fr= 1--      4.1686                 1.0154                 2.3869
  Dep-P Fr= 1--      0.7500                 0.7234                 0.7479
  Dep-U Fr= 1--      0.8571                 0.8395                 0.8558
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0001
 Beta2  Fr= 1--      0.5955                 0.1421                 0.3404
 AlphaG Fr= 1--      0.0000                -0.0084                 0.0025
 Gamma2 Fr= 1--     -3.5182                 1.9763                -1.1233
 Delta2 Fr= 1--     -2.0377                 0.8589                 0.0776
 Raman1 Fr= 1--      16.674                  4.062                  9.548
 ROA1   Fr= 1--    -402.953                217.208               -105.350
 CID1   Fr= 1--     -24.166                 53.479                -11.034
 Raman2 Fr= 1--       7.146                  1.705                  4.085
 ROA2   Fr= 1--     -68.135                 40.559                -27.579
 CID2   Fr= 1--      -9.534                 23.790                 -6.751
 Raman3 Fr= 1--      14.292                  3.410                  8.171
 ROA3   Fr= 1--    -402.953                217.208               -105.350
 CID3   Fr= 1--     -28.194                 63.701                -12.894
 RC180  Fr= 1--       0.714                  0.679                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.03     0.01  -0.02  -0.12    -0.00  -0.03  -0.14
     2   6     0.01  -0.02   0.08     0.02  -0.01  -0.09     0.01  -0.01  -0.04
     3   6    -0.03  -0.06  -0.05     0.01  -0.02  -0.12    -0.00  -0.03  -0.14
     4   6    -0.01  -0.07   0.03     0.02  -0.02  -0.09     0.01  -0.02  -0.05
     5   6     0.03  -0.05   0.14     0.03  -0.02  -0.09     0.02  -0.01   0.01
     6   6     0.04  -0.02   0.17     0.03  -0.02  -0.10     0.02  -0.01   0.02
     7   6    -0.05  -0.03  -0.13     0.01  -0.01  -0.10    -0.01  -0.03  -0.20
     8   1    -0.06  -0.08  -0.13     0.00  -0.03  -0.13    -0.01  -0.03  -0.19
     9   1     0.05  -0.06   0.20     0.03  -0.03  -0.07     0.02  -0.00   0.07
    10   1     0.06  -0.01   0.25     0.03  -0.01  -0.09     0.03  -0.00   0.09
    11   6    -0.01  -0.09  -0.01     0.02  -0.01   0.00     0.01  -0.02   0.02
    12   6    -0.03  -0.15   0.18     0.07  -0.03   0.08     0.04  -0.02   0.06
    13   6     0.04   0.09  -0.07    -0.09   0.03   0.06    -0.04   0.02   0.04
    14   1    -0.04  -0.18  -0.12     0.07  -0.03   0.02     0.04  -0.03   0.02
    15   1    -0.07  -0.29   0.22     0.13  -0.07   0.06     0.10  -0.04   0.03
    16   1    -0.00  -0.05   0.30     0.03  -0.01   0.09     0.01  -0.01   0.05
    17   1    -0.04  -0.17   0.14     0.08  -0.02   0.15     0.05  -0.02   0.12
    18   8     0.01   0.23  -0.15    -0.15   0.29   0.15     0.01  -0.21   0.09
    19   8     0.11   0.08  -0.03    -0.12  -0.27   0.01    -0.14   0.34   0.01
    20   1     0.11  -0.03   0.03    -0.08  -0.40  -0.06    -0.15   0.43  -0.04
    21   6    -0.05  -0.01  -0.11     0.02   0.01  -0.04    -0.00  -0.02  -0.13
    22   6    -0.01   0.01  -0.00     0.03   0.02   0.01     0.01  -0.01   0.00
    23   6     0.02   0.01   0.10     0.03   0.00  -0.03     0.02  -0.01   0.03
    24   8    -0.00   0.04   0.02     0.04   0.03   0.09     0.03   0.00   0.11
    25   6    -0.03   0.04  -0.09     0.06   0.06   0.25     0.04   0.01   0.20
    26   1    -0.08  -0.05  -0.21    -0.00  -0.01  -0.13    -0.02  -0.04  -0.29
    27   1    -0.07  -0.00  -0.19     0.01   0.02  -0.02    -0.01  -0.03  -0.17
    28   1     0.04   0.02   0.18     0.04   0.01  -0.00     0.03   0.00   0.12
    29   1    -0.06  -0.05  -0.14     0.17   0.09   0.24     0.15  -0.02   0.16
    30   1    -0.04   0.12  -0.16    -0.06   0.03   0.28    -0.08   0.04   0.19
    31   1    -0.02   0.06  -0.06     0.07   0.08   0.35     0.06   0.02   0.34
                      4                      5                      6
                      A                      A                      A
 Frequencies --     75.0206               126.3846               135.3375
 Red. masses --      3.8525                 4.8461                 4.1046
 Frc consts  --      0.0128                 0.0456                 0.0443
 IR Inten    --      4.7790                 0.0247                 0.3415
 RamAct Fr= 1--      0.6365                 0.9761                 1.5843
  Dep-P Fr= 1--      0.7013                 0.7433                 0.3657
  Dep-U Fr= 1--      0.8244                 0.8528                 0.5356
 Alpha2 Fr= 1--      0.0005                 0.0001                 0.0132
 Beta2  Fr= 1--      0.0875                 0.1387                 0.1414
 AlphaG Fr= 1--      0.0089                -0.0036                -0.0225
 Gamma2 Fr= 1--      0.1453                 1.2760                -1.3196
 Delta2 Fr= 1--     -0.1051                 0.6226                -0.7125
 Raman1 Fr= 1--       2.546                  3.904                  6.337
 ROA1   Fr= 1--      10.585                142.415               -149.485
 CID1   Fr= 1--       4.157                 36.476                -23.589
 Raman2 Fr= 1--       1.050                  1.665                  1.697
 ROA2   Fr= 1--       4.328                 25.643                -25.971
 CID2   Fr= 1--       4.123                 15.403                -15.304
 Raman3 Fr= 1--       2.099                  3.330                  3.394
 ROA3   Fr= 1--      10.585                142.415               -149.485
 CID3   Fr= 1--       5.042                 42.773                -44.045
 RC180  Fr= 1--       0.649                  0.706                  0.071
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.00    -0.02   0.07  -0.09    -0.03  -0.10  -0.03
     2   6    -0.03   0.00  -0.03    -0.05   0.06  -0.13    -0.03  -0.09  -0.07
     3   6    -0.01   0.02   0.06    -0.01   0.09   0.01    -0.01  -0.09   0.05
     4   6    -0.01   0.02   0.09    -0.00   0.09   0.05    -0.01  -0.07   0.08
     5   6    -0.01   0.02   0.10    -0.03   0.07  -0.06    -0.03  -0.08  -0.01
     6   6    -0.02   0.01   0.03    -0.05   0.06  -0.16    -0.04  -0.09  -0.09
     7   6    -0.02   0.00  -0.04     0.01   0.04  -0.11    -0.08  -0.06  -0.05
     8   1    -0.01   0.02   0.06    -0.02   0.10   0.06     0.01  -0.08   0.09
     9   1    -0.01   0.03   0.14    -0.04   0.08  -0.08    -0.04  -0.08  -0.01
    10   1    -0.02   0.01   0.03    -0.05   0.05  -0.24    -0.05  -0.10  -0.14
    11   6    -0.01   0.02   0.04    -0.01   0.01   0.07     0.02   0.05   0.06
    12   6    -0.04   0.02   0.00    -0.14  -0.06   0.16     0.15   0.15  -0.12
    13   6     0.07  -0.01   0.00     0.07  -0.03   0.03     0.06   0.03   0.05
    14   1    -0.04   0.02   0.03     0.03  -0.07   0.03    -0.07   0.16   0.12
    15   1    -0.10   0.04   0.03    -0.22  -0.11   0.22     0.21   0.25  -0.17
    16   1    -0.01   0.01   0.01    -0.13   0.03   0.26     0.18   0.02  -0.24
    17   1    -0.05   0.01  -0.05    -0.15  -0.14   0.09     0.16   0.26  -0.08
    18   8     0.07  -0.01  -0.06     0.08  -0.07  -0.04     0.06   0.04  -0.01
    19   8     0.14  -0.04   0.04     0.15  -0.08   0.08     0.12   0.03   0.08
    20   1     0.12  -0.03   0.09     0.13  -0.03   0.13     0.11   0.00   0.12
    21   6    -0.03  -0.01  -0.10     0.01   0.01  -0.06    -0.08  -0.02  -0.04
    22   6    -0.04  -0.02  -0.13    -0.01   0.00   0.02    -0.04  -0.01   0.01
    23   6    -0.04  -0.01  -0.11    -0.06   0.03  -0.08    -0.01  -0.05  -0.06
    24   8    -0.05  -0.03  -0.20    -0.01  -0.04   0.23     0.00   0.09   0.14
    25   6     0.01   0.02   0.27     0.02  -0.13  -0.03    -0.10   0.16  -0.03
    26   1    -0.02   0.00  -0.02     0.04   0.05  -0.13    -0.12  -0.08  -0.05
    27   1    -0.03  -0.02  -0.13     0.04  -0.01  -0.05    -0.10  -0.00  -0.03
    28   1    -0.04  -0.01  -0.13    -0.09   0.02  -0.06     0.03  -0.04  -0.06
    29   1     0.24   0.26   0.36     0.02  -0.38  -0.17    -0.16  -0.02  -0.11
    30   1    -0.18  -0.19   0.46     0.05   0.09  -0.22    -0.17   0.30  -0.15
    31   1     0.02   0.03   0.35     0.00  -0.18   0.10    -0.04   0.25   0.06
                      7                      8                      9
                      A                      A                      A
 Frequencies --    182.6031               216.1434               224.7308
 Red. masses --      3.2054                 2.6259                 2.9879
 Frc consts  --      0.0630                 0.0723                 0.0889
 IR Inten    --      1.0684                 1.2850                 3.6357
 RamAct Fr= 1--      0.0513                 3.4718                 0.4776
  Dep-P Fr= 1--      0.7368                 0.4118                 0.7123
  Dep-U Fr= 1--      0.8484                 0.5834                 0.8320
 Alpha2 Fr= 1--      0.0000                 0.0246                 0.0003
 Beta2  Fr= 1--      0.0073                 0.3376                 0.0662
 AlphaG Fr= 1--      0.0000                -0.0400                -0.0045
 Gamma2 Fr= 1--      0.0623                -1.2196                -0.5323
 Delta2 Fr= 1--     -0.0150                -0.3077                -0.1956
 Raman1 Fr= 1--       0.205                 13.887                  1.911
 ROA1   Fr= 1--       5.498               -126.930                -57.363
 CID1   Fr= 1--      26.776                 -9.140                -30.024
 Raman2 Fr= 1--       0.087                  4.051                  0.795
 ROA2   Fr= 1--       1.614                -26.809                -11.211
 CID2   Fr= 1--      18.532                 -6.618                -14.106
 Raman3 Fr= 1--       0.174                  8.101                  1.590
 ROA3   Fr= 1--       5.498               -126.930                -57.363
 CID3   Fr= 1--      31.560                -15.668                -36.086
 RC180  Fr= 1--       0.697                  0.167                  0.664
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.15    -0.02   0.00  -0.05     0.05  -0.05   0.00
     2   6    -0.02  -0.02  -0.13    -0.03   0.01   0.05     0.02  -0.06   0.00
     3   6    -0.02  -0.02  -0.19    -0.01   0.01  -0.10     0.06   0.04  -0.01
     4   6    -0.00   0.00   0.00    -0.00   0.02  -0.07     0.00   0.10  -0.01
     5   6     0.02   0.02   0.20    -0.04   0.01  -0.11    -0.04   0.08   0.00
     6   6     0.00   0.01   0.06    -0.04   0.00  -0.04    -0.05   0.00   0.01
     7   6     0.00   0.01   0.05    -0.02   0.00  -0.04     0.07  -0.08   0.00
     8   1    -0.04  -0.03  -0.29    -0.01   0.01  -0.11     0.13   0.06  -0.02
     9   1     0.04   0.05   0.42    -0.06   0.01  -0.18    -0.07   0.12   0.00
    10   1     0.01   0.02   0.17    -0.04  -0.00  -0.04    -0.13  -0.02   0.02
    11   6     0.00   0.00   0.01     0.02   0.05   0.01    -0.01   0.08  -0.02
    12   6     0.01   0.00   0.01     0.12   0.03   0.12    -0.12   0.02   0.08
    13   6     0.01   0.00   0.00     0.04   0.01   0.01    -0.01   0.02  -0.02
    14   1     0.00   0.00   0.01     0.04   0.03   0.00     0.02   0.03  -0.06
    15   1     0.02  -0.01   0.01     0.22  -0.07   0.10    -0.39  -0.14   0.25
    16   1     0.01   0.01   0.02     0.10   0.07   0.16     0.09   0.13   0.29
    17   1     0.01   0.01   0.02     0.14   0.08   0.23    -0.15   0.00  -0.20
    18   8     0.01  -0.01  -0.00     0.06  -0.06  -0.01     0.01  -0.04   0.01
    19   8     0.02   0.00   0.01     0.07  -0.05   0.02    -0.03  -0.03  -0.04
    20   1     0.02  -0.00   0.01     0.06   0.00   0.03    -0.03   0.03  -0.07
    21   6     0.02   0.02   0.21    -0.02  -0.00   0.03     0.05  -0.11   0.00
    22   6    -0.00   0.00   0.02    -0.03  -0.00   0.07     0.04  -0.11   0.00
    23   6    -0.03  -0.02  -0.16    -0.02   0.01   0.16     0.03  -0.11  -0.00
    24   8    -0.00   0.00   0.03    -0.05  -0.01  -0.07     0.08   0.01  -0.01
    25   6    -0.01   0.00  -0.02    -0.07   0.02   0.01    -0.09   0.20  -0.01
    26   1     0.01   0.02   0.15    -0.03  -0.00  -0.09     0.09  -0.07   0.00
    27   1     0.05   0.05   0.45    -0.02  -0.01   0.03     0.04  -0.12   0.00
    28   1    -0.03  -0.03  -0.24    -0.02   0.01   0.21    -0.00  -0.12   0.00
    29   1    -0.18   0.16   0.10    -0.27   0.34   0.23    -0.19   0.16  -0.01
    30   1     0.18  -0.13   0.09     0.16  -0.26   0.24    -0.23   0.21  -0.01
    31   1    -0.04  -0.02  -0.29    -0.10  -0.00  -0.41     0.01   0.38  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    241.8139               260.2717               278.4455
 Red. masses --      1.6769                 1.2135                 2.2803
 Frc consts  --      0.0578                 0.0484                 0.1042
 IR Inten    --      0.7691                 1.0767                 2.7400
 RamAct Fr= 1--      1.6839                 0.4971                 1.1987
  Dep-P Fr= 1--      0.4231                 0.3963                 0.7441
  Dep-U Fr= 1--      0.5946                 0.5676                 0.8533
 Alpha2 Fr= 1--      0.0115                 0.0037                 0.0001
 Beta2  Fr= 1--      0.1669                 0.0470                 0.1705
 AlphaG Fr= 1--     -0.0452                 0.0110                 0.0039
 Gamma2 Fr= 1--      0.9638                 0.1352                 1.4786
 Delta2 Fr= 1--      0.0755                 0.1443                 0.3520
 Raman1 Fr= 1--       6.736                  1.989                  4.795
 ROA1   Fr= 1--      94.938                 17.593                153.209
 CID1   Fr= 1--      14.095                  8.848                 31.953
 Raman2 Fr= 1--       2.003                  0.564                  2.046
 ROA2   Fr= 1--      22.526                  2.090                 32.670
 CID2   Fr= 1--      11.249                  3.703                 15.970
 Raman3 Fr= 1--       4.005                  1.129                  4.091
 ROA3   Fr= 1--      94.938                 17.593                153.209
 CID3   Fr= 1--      23.705                 15.587                 37.446
 RC180  Fr= 1--       0.189                  0.135                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.02    -0.01  -0.00   0.01     0.01   0.02   0.08
     2   6    -0.02   0.01   0.01    -0.00   0.00  -0.01    -0.01   0.01  -0.01
     3   6    -0.00   0.01  -0.03    -0.00  -0.02   0.04     0.02   0.03   0.13
     4   6     0.00   0.00  -0.04    -0.00  -0.02   0.02     0.01   0.02   0.02
     5   6    -0.01   0.01   0.02     0.00  -0.02   0.01     0.00   0.02   0.05
     6   6    -0.01   0.01   0.04     0.01  -0.01   0.00     0.00   0.01   0.05
     7   6    -0.01   0.02   0.06    -0.02   0.01  -0.01     0.01   0.00  -0.01
     8   1    -0.01   0.00  -0.04     0.00  -0.02   0.06     0.03   0.03   0.18
     9   1    -0.01   0.02   0.04     0.01  -0.03   0.01    -0.00   0.03   0.06
    10   1     0.00   0.01   0.07     0.02  -0.01  -0.01     0.00   0.02   0.06
    11   6     0.02   0.03  -0.04    -0.00   0.01  -0.01     0.01   0.01  -0.05
    12   6     0.14   0.01   0.09     0.05   0.02   0.00     0.08  -0.01   0.06
    13   6     0.01   0.01  -0.03    -0.01   0.01  -0.01    -0.01   0.01  -0.06
    14   1     0.01   0.01  -0.06    -0.04   0.03  -0.02    -0.01  -0.01  -0.08
    15   1     0.18  -0.14   0.10    -0.35  -0.21   0.26     0.39  -0.00  -0.10
    16   1     0.19   0.06   0.17     0.54   0.05   0.26    -0.19   0.01  -0.03
    17   1     0.15   0.11   0.13     0.01   0.22  -0.49     0.12  -0.05   0.43
    18   8     0.02  -0.05  -0.01    -0.00  -0.01   0.01    -0.00  -0.03  -0.02
    19   8    -0.01  -0.04  -0.06    -0.03  -0.01  -0.03    -0.06  -0.03  -0.10
    20   1    -0.01   0.00  -0.08    -0.03   0.01  -0.05    -0.05   0.01  -0.15
    21   6    -0.01   0.01   0.03    -0.02   0.03  -0.03    -0.01  -0.02  -0.10
    22   6    -0.03   0.00  -0.02    -0.01   0.03  -0.01    -0.01  -0.02  -0.06
    23   6    -0.03   0.00  -0.03    -0.00   0.02  -0.02    -0.02  -0.02  -0.12
    24   8    -0.04  -0.01  -0.02    -0.01   0.01   0.03     0.01   0.00   0.11
    25   6    -0.03  -0.01   0.00     0.03  -0.04   0.00    -0.03   0.01   0.01
    26   1    -0.01   0.02   0.09    -0.04   0.00  -0.02     0.02   0.01  -0.01
    27   1    -0.01   0.01   0.02    -0.02   0.03  -0.03    -0.00  -0.03  -0.12
    28   1    -0.03   0.00  -0.06     0.02   0.03  -0.03    -0.04  -0.02  -0.14
    29   1     0.24  -0.33  -0.23    -0.03   0.06   0.07    -0.28   0.21   0.17
    30   1    -0.36   0.26  -0.23     0.18  -0.11   0.06     0.23  -0.15   0.15
    31   1     0.03   0.04   0.50    -0.01  -0.10  -0.15    -0.06  -0.00  -0.37
                     13                     14                     15
                      A                      A                      A
 Frequencies --    310.4011               346.1441               390.2970
 Red. masses --      4.8215                 4.1969                 5.1554
 Frc consts  --      0.2737                 0.2963                 0.4627
 IR Inten    --      4.9110                 5.1688                 2.0464
 RamAct Fr= 1--     15.5592                 1.8879                 0.7556
  Dep-P Fr= 1--      0.1687                 0.7331                 0.3141
  Dep-U Fr= 1--      0.2887                 0.8460                 0.4781
 Alpha2 Fr= 1--      0.2293                 0.0005                 0.0074
 Beta2  Fr= 1--      0.7487                 0.2662                 0.0602
 AlphaG Fr= 1--      0.1361                 0.0097                 0.0485
 Gamma2 Fr= 1--      2.4329                -2.8145                -0.2126
 Delta2 Fr= 1--      0.5943                -0.7403                -0.2070
 Raman1 Fr= 1--      62.237                  7.552                  3.022
 ROA1   Fr= 1--     252.582               -293.879                -27.031
 CID1   Fr= 1--       4.058                -38.915                 -8.944
 Raman2 Fr= 1--       8.984                  3.194                  0.722
 ROA2   Fr= 1--      53.636                -61.625                 -3.446
 CID2   Fr= 1--       5.970                -19.292                 -4.771
 Raman3 Fr= 1--      17.968                  6.389                  1.445
 ROA3   Fr= 1--     252.582               -293.879                -27.031
 CID3   Fr= 1--      14.058                -46.000                -18.709
 RC180  Fr= 1--      -0.423                  0.692                 -0.044
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.08   0.00    -0.01  -0.12  -0.01    -0.03   0.05  -0.09
     2   6     0.03  -0.07   0.00    -0.01  -0.12   0.00    -0.01   0.05  -0.13
     3   6    -0.04  -0.06   0.00     0.04  -0.05  -0.00    -0.03   0.00   0.12
     4   6    -0.11   0.01   0.02     0.03   0.01   0.03    -0.00  -0.02   0.27
     5   6    -0.07   0.01   0.01    -0.04  -0.02   0.02     0.04  -0.01   0.20
     6   6    -0.05  -0.02   0.00    -0.05  -0.10  -0.02     0.01   0.02  -0.25
     7   6    -0.02  -0.07   0.01    -0.10  -0.05   0.00     0.02   0.01  -0.11
     8   1     0.03  -0.04  -0.01     0.07  -0.04  -0.02    -0.08  -0.01   0.10
     9   1    -0.05  -0.01   0.00    -0.08   0.02   0.03     0.10  -0.04   0.30
    10   1    -0.12  -0.04   0.01    -0.12  -0.12  -0.04     0.03   0.01  -0.46
    11   6    -0.15   0.10   0.03     0.08   0.11  -0.04    -0.03  -0.02   0.03
    12   6     0.00   0.14   0.13    -0.14   0.05   0.04     0.05   0.01   0.02
    13   6    -0.14   0.03  -0.02     0.13   0.07  -0.04    -0.00  -0.00  -0.07
    14   1    -0.17   0.13   0.05     0.02   0.07  -0.13    -0.16  -0.00  -0.04
    15   1     0.20   0.06   0.05    -0.10   0.11   0.00     0.16   0.01  -0.04
    16   1    -0.07   0.14   0.10    -0.41   0.16   0.04     0.03  -0.03  -0.03
    17   1     0.03   0.22   0.34    -0.15  -0.24   0.16     0.07   0.09   0.12
    18   8    -0.11  -0.09  -0.19     0.14   0.01   0.17    -0.00  -0.00  -0.04
    19   8     0.01  -0.05   0.07    -0.03  -0.03  -0.17    -0.10  -0.02  -0.14
    20   1    -0.03   0.03   0.17    -0.00   0.04  -0.32    -0.08  -0.00  -0.24
    21   6     0.00   0.01   0.01    -0.08   0.07   0.02     0.04  -0.03   0.08
    22   6     0.10   0.04  -0.01    -0.04   0.09   0.02     0.05  -0.02   0.15
    23   6     0.09   0.00  -0.00     0.03   0.01   0.03     0.02   0.03   0.18
    24   8     0.13   0.09  -0.03    -0.04   0.09  -0.02     0.03  -0.06  -0.10
    25   6     0.26  -0.01  -0.03     0.10  -0.06  -0.01    -0.02   0.02  -0.01
    26   1    -0.06  -0.08   0.01    -0.22  -0.08   0.02     0.08   0.02  -0.18
    27   1    -0.04   0.06   0.01    -0.10   0.10   0.02     0.05  -0.04   0.05
    28   1     0.13   0.01  -0.01     0.14   0.05   0.02    -0.04   0.01   0.25
    29   1     0.36  -0.01  -0.05     0.24  -0.06  -0.03     0.01  -0.00  -0.04
    30   1     0.34   0.00  -0.05     0.20  -0.04  -0.03    -0.16   0.03  -0.02
    31   1     0.19  -0.14   0.01     0.02  -0.22   0.05     0.03   0.10   0.08
                     16                     17                     18
                      A                      A                      A
 Frequencies --    417.1449               440.1516               456.1227
 Red. masses --      3.3249                 4.9822                 4.4401
 Frc consts  --      0.3409                 0.5687                 0.5443
 IR Inten    --      0.2164                 2.1830                 5.2406
 RamAct Fr= 1--      1.9458                 0.6931                 1.2365
  Dep-P Fr= 1--      0.7450                 0.5782                 0.7459
  Dep-U Fr= 1--      0.8538                 0.7327                 0.8545
 Alpha2 Fr= 1--      0.0002                 0.0022                 0.0001
 Beta2  Fr= 1--      0.2769                 0.0846                 0.1761
 AlphaG Fr= 1--      0.0013                 0.0094                 0.0031
 Gamma2 Fr= 1--     -0.6516                -0.2494                -0.6565
 Delta2 Fr= 1--      0.0633                -0.0680                -0.0397
 Raman1 Fr= 1--       7.783                  2.772                  4.946
 ROA1   Fr= 1--     -60.526                -26.123                -64.297
 CID1   Fr= 1--      -7.777                 -9.423                -13.000
 Raman2 Fr= 1--       3.323                  1.016                  2.113
 ROA2   Fr= 1--     -16.145                 -5.442                -15.439
 CID2   Fr= 1--      -4.859                 -5.359                 -7.306
 Raman3 Fr= 1--       6.646                  2.031                  4.226
 ROA3   Fr= 1--     -60.526                -26.123                -64.297
 CID3   Fr= 1--      -9.108                -12.860                -15.214
 RC180  Fr= 1--       0.708                  0.465                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.09    -0.12   0.05   0.01     0.08  -0.12   0.00
     2   6    -0.00  -0.01  -0.03    -0.12   0.05   0.02     0.02  -0.15  -0.03
     3   6    -0.02  -0.01  -0.17    -0.12   0.10   0.00     0.16   0.11   0.04
     4   6     0.00   0.01   0.00    -0.06   0.05  -0.00     0.08   0.18  -0.00
     5   6     0.01   0.02   0.13    -0.13   0.08  -0.00    -0.00   0.19   0.06
     6   6    -0.02  -0.02  -0.16    -0.15   0.06   0.02    -0.08  -0.06  -0.04
     7   6     0.03   0.02   0.24    -0.03  -0.04   0.01    -0.03  -0.05  -0.04
     8   1    -0.04  -0.03  -0.40    -0.12   0.10   0.00     0.34   0.17   0.03
     9   1     0.02   0.04   0.26    -0.18   0.11  -0.02    -0.12   0.31   0.13
    10   1    -0.05  -0.04  -0.32    -0.18   0.06   0.03    -0.27  -0.12  -0.04
    11   6     0.00  -0.00  -0.00     0.01  -0.14  -0.02     0.04  -0.09  -0.01
    12   6     0.00  -0.00  -0.00     0.12  -0.16  -0.08     0.09  -0.13  -0.05
    13   6    -0.00  -0.00   0.00     0.09  -0.05   0.00    -0.06  -0.09   0.01
    14   1     0.02  -0.01   0.00     0.01  -0.16  -0.04     0.20  -0.13   0.05
    15   1     0.00  -0.01  -0.00     0.16  -0.18  -0.09     0.13  -0.14  -0.07
    16   1     0.01  -0.00   0.00     0.24  -0.24  -0.11     0.17  -0.20  -0.08
    17   1     0.00   0.00  -0.01     0.13   0.01  -0.10     0.10  -0.02  -0.04
    18   8    -0.00  -0.00  -0.00     0.07   0.05   0.12    -0.08   0.01  -0.09
    19   8     0.01   0.01   0.01     0.04   0.03  -0.03    -0.02   0.03   0.06
    20   1     0.01  -0.04   0.02     0.06  -0.06  -0.07    -0.01  -0.10   0.12
    21   6    -0.03  -0.02  -0.20    -0.05  -0.13   0.02    -0.02   0.08   0.02
    22   6    -0.01  -0.01  -0.10     0.04  -0.10   0.00    -0.07   0.08   0.06
    23   6     0.01   0.01   0.10    -0.08  -0.04   0.01     0.03  -0.04   0.03
    24   8     0.00   0.01   0.05     0.13   0.09  -0.02    -0.11   0.08  -0.02
    25   6     0.00   0.00   0.01     0.23   0.08  -0.04    -0.02  -0.04   0.00
    26   1     0.05   0.05   0.46     0.08  -0.01  -0.01    -0.18  -0.09  -0.07
    27   1    -0.04  -0.03  -0.33    -0.04  -0.14   0.02    -0.03   0.07  -0.02
    28   1     0.04   0.03   0.30    -0.22  -0.09   0.02     0.19   0.01  -0.01
    29   1    -0.05   0.04   0.04     0.29   0.07  -0.05     0.08  -0.03  -0.01
    30   1     0.08  -0.03   0.03     0.29   0.08  -0.04     0.05  -0.03  -0.01
    31   1    -0.01  -0.02  -0.09     0.17  -0.02  -0.02    -0.08  -0.16   0.04
                     19                     20                     21
                      A                      A                      A
 Frequencies --    484.7510               535.7155               566.0997
 Red. masses --      2.5631                 6.4751                 3.5671
 Frc consts  --      0.3549                 1.0949                 0.6735
 IR Inten    --     14.3492                 0.4344                 9.1614
 RamAct Fr= 1--      0.1234                15.9807                 3.0584
  Dep-P Fr= 1--      0.3501                 0.3885                 0.5761
  Dep-U Fr= 1--      0.5186                 0.5596                 0.7311
 Alpha2 Fr= 1--      0.0011                 0.1233                 0.0100
 Beta2  Fr= 1--      0.0107                 1.4905                 0.3726
 AlphaG Fr= 1--      0.0012                 0.0770                 0.0597
 Gamma2 Fr= 1--     -0.2385                -0.5008                 0.4834
 Delta2 Fr= 1--     -0.0145                -0.4028                 0.8035
 Raman1 Fr= 1--       0.493                 63.923                 12.234
 ROA1   Fr= 1--     -23.360                -60.964                 72.115
 CID1   Fr= 1--     -47.340                 -0.954                  5.895
 Raman2 Fr= 1--       0.128                 17.886                  4.472
 ROA2   Fr= 1--      -5.609                 -8.796                  5.172
 CID2   Fr= 1--     -43.831                 -0.492                  1.157
 Raman3 Fr= 1--       0.256                 35.772                  8.944
 ROA3   Fr= 1--     -23.360                -60.964                 72.115
 CID3   Fr= 1--     -91.277                 -1.704                  8.063
 RC180  Fr= 1--       0.037                  0.119                  0.462
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02   0.21    -0.12  -0.02   0.02     0.06   0.08   0.07
     2   6     0.02   0.02   0.19     0.14   0.05  -0.01    -0.06   0.02  -0.12
     3   6    -0.01  -0.02  -0.12    -0.07   0.11  -0.01     0.05  -0.03   0.06
     4   6     0.00   0.00   0.03     0.03   0.07  -0.00     0.05  -0.08  -0.17
     5   6     0.01   0.00   0.05     0.29   0.13  -0.05     0.00  -0.09   0.09
     6   6    -0.01  -0.01  -0.10     0.27   0.09  -0.04    -0.00  -0.02  -0.05
     7   6    -0.01  -0.01  -0.10    -0.24  -0.05   0.03     0.05   0.08  -0.02
     8   1    -0.06  -0.05  -0.45     0.01   0.13  -0.03    -0.03  -0.04   0.20
     9   1    -0.00  -0.01  -0.05     0.37   0.06  -0.07     0.04  -0.05   0.39
    10   1    -0.05  -0.05  -0.42     0.26   0.09  -0.05     0.12   0.03   0.14
    11   6    -0.00   0.00  -0.00     0.01   0.02   0.02     0.06   0.06  -0.11
    12   6    -0.00   0.00   0.00    -0.01   0.05   0.02    -0.02   0.02  -0.01
    13   6     0.00  -0.00   0.00    -0.01   0.01   0.01    -0.05   0.04  -0.00
    14   1    -0.00   0.00   0.00     0.03   0.03   0.03     0.11   0.07  -0.07
    15   1     0.00  -0.01   0.00    -0.04   0.08   0.03    -0.08  -0.04   0.04
    16   1     0.00   0.01   0.01    -0.02   0.05   0.01    -0.12   0.15   0.09
    17   1    -0.00   0.01   0.00    -0.02   0.03  -0.00    -0.03  -0.15  -0.01
    18   8     0.00  -0.00   0.00    -0.00  -0.00  -0.04    -0.04  -0.02   0.02
    19   8    -0.00   0.01   0.00    -0.02  -0.01  -0.01     0.05  -0.01   0.07
    20   1     0.01  -0.08   0.00    -0.02   0.01  -0.04    -0.02   0.21   0.19
    21   6     0.01   0.01   0.05    -0.29  -0.19   0.05    -0.00  -0.07  -0.01
    22   6     0.01   0.01   0.07    -0.06  -0.12   0.01    -0.07  -0.05   0.17
    23   6    -0.01  -0.01  -0.12     0.06  -0.17   0.01    -0.08  -0.09   0.03
    24   8    -0.00  -0.00  -0.01    -0.03   0.05   0.00    -0.06   0.12  -0.04
    25   6    -0.00  -0.00  -0.00     0.04  -0.03  -0.00     0.06   0.03  -0.02
    26   1    -0.05  -0.05  -0.46    -0.18  -0.03   0.03     0.10   0.08  -0.23
    27   1    -0.01  -0.01  -0.12    -0.28  -0.19   0.06     0.09  -0.22  -0.30
    28   1    -0.06  -0.05  -0.48    -0.07  -0.21   0.03    -0.17  -0.13  -0.09
    29   1     0.00   0.01   0.00     0.12  -0.02  -0.01     0.20   0.04  -0.03
    30   1    -0.01  -0.01   0.00     0.12  -0.02  -0.01     0.17   0.02  -0.02
    31   1    -0.00   0.00   0.00    -0.02  -0.14   0.02    -0.04  -0.15   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    572.4928               599.0971               621.9965
 Red. masses --      4.0554                 1.1580                 4.1644
 Frc consts  --      0.7831                 0.2449                 0.9492
 IR Inten    --     12.6870                43.8742                 5.1561
 RamAct Fr= 1--      5.1581                 1.0850                 1.4445
  Dep-P Fr= 1--      0.2308                 0.6192                 0.7452
  Dep-U Fr= 1--      0.3750                 0.7648                 0.8540
 Alpha2 Fr= 1--      0.0645                 0.0026                 0.0001
 Beta2  Fr= 1--      0.3224                 0.1383                 0.2056
 AlphaG Fr= 1--     -0.1322                -0.0946                -0.0021
 Gamma2 Fr= 1--      1.7969                -0.6620                 0.2548
 Delta2 Fr= 1--     -0.2185                 0.5231                 0.2758
 Raman1 Fr= 1--      20.633                  4.340                  5.778
 ROA1   Fr= 1--     165.510                -46.813                 33.282
 CID1   Fr= 1--       8.022                -10.786                  5.760
 Raman2 Fr= 1--       3.869                  1.660                  2.467
 ROA2   Fr= 1--      44.874                -20.072                  3.908
 CID2   Fr= 1--      11.600                -12.094                  1.584
 Raman3 Fr= 1--       7.737                  3.319                  4.935
 ROA3   Fr= 1--     165.510                -46.813                 33.282
 CID3   Fr= 1--      21.392                -14.103                  6.745
 RC180  Fr= 1--      -0.250                  0.530                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.06  -0.09     0.01  -0.00  -0.01     0.08  -0.01  -0.05
     2   6    -0.03   0.02   0.11     0.01   0.00   0.03     0.12   0.01   0.04
     3   6     0.07  -0.03  -0.05     0.00  -0.00  -0.02     0.04  -0.11   0.04
     4   6     0.08  -0.02   0.14     0.01   0.00   0.03    -0.10  -0.01   0.07
     5   6    -0.03  -0.07  -0.05     0.00   0.01   0.00    -0.03   0.04   0.02
     6   6    -0.02  -0.01   0.04    -0.00   0.00  -0.00     0.00   0.14  -0.03
     7   6     0.10   0.10  -0.02     0.00  -0.00  -0.01     0.03   0.08  -0.06
     8   1    -0.01  -0.06  -0.15     0.01   0.00  -0.01     0.07  -0.10  -0.07
     9   1    -0.08  -0.08  -0.30    -0.01  -0.00  -0.07     0.06  -0.07  -0.13
    10   1     0.03  -0.01  -0.15    -0.02  -0.01  -0.09    -0.06   0.10  -0.21
    11   6     0.06  -0.01   0.13     0.00  -0.02   0.00    -0.15  -0.00  -0.16
    12   6    -0.01   0.04   0.03     0.01  -0.03  -0.02    -0.00  -0.04  -0.03
    13   6     0.02  -0.05   0.03    -0.01   0.03  -0.00    -0.05   0.05  -0.10
    14   1     0.05   0.03   0.16    -0.02  -0.03  -0.03    -0.26  -0.03  -0.25
    15   1    -0.07   0.16   0.03     0.01   0.01  -0.03     0.16  -0.25  -0.07
    16   1    -0.02  -0.01  -0.03     0.01  -0.05  -0.04     0.05  -0.00   0.04
    17   1    -0.02  -0.01  -0.03     0.01  -0.01  -0.02     0.03   0.12   0.12
    18   8     0.01   0.01  -0.12    -0.01   0.02   0.00    -0.06  -0.04   0.18
    19   8    -0.11   0.01  -0.04     0.01  -0.07   0.01     0.14   0.03  -0.00
    20   1    -0.03  -0.27  -0.19    -0.15   0.97   0.01     0.12  -0.25   0.29
    21   6     0.03  -0.06   0.02     0.00  -0.00   0.01     0.01   0.00   0.04
    22   6    -0.13  -0.08  -0.12    -0.01  -0.00  -0.03    -0.06  -0.03  -0.11
    23   6    -0.08  -0.11   0.02     0.00  -0.01   0.00     0.09  -0.11   0.02
    24   8    -0.09   0.17   0.03    -0.01   0.01   0.01    -0.07   0.06   0.02
    25   6     0.06   0.02  -0.00    -0.00  -0.00   0.00    -0.03  -0.02   0.01
    26   1     0.17   0.13   0.14     0.01   0.00   0.03     0.05   0.09   0.09
    27   1     0.22  -0.18   0.28     0.02  -0.00   0.07     0.12  -0.05   0.30
    28   1    -0.11  -0.12   0.14     0.01  -0.00   0.02     0.14  -0.09   0.17
    29   1     0.20   0.02  -0.03     0.01  -0.00  -0.00     0.02  -0.03  -0.01
    30   1     0.23   0.04  -0.03     0.01   0.00  -0.00     0.04  -0.01  -0.01
    31   1    -0.07  -0.20   0.03    -0.01  -0.01   0.00    -0.08  -0.11   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --    644.0907               691.0470               715.7436
 Red. masses --      3.6662                 4.6143                 3.8806
 Frc consts  --      0.8961                 1.2983                 1.1713
 IR Inten    --      1.3807                 5.5599                 5.3658
 RamAct Fr= 1--      0.5219                 2.2068                 1.6029
  Dep-P Fr= 1--      0.7223                 0.1887                 0.2856
  Dep-U Fr= 1--      0.8388                 0.3176                 0.4443
 Alpha2 Fr= 1--      0.0002                 0.0309                 0.0172
 Beta2  Fr= 1--      0.0730                 0.1168                 0.1187
 AlphaG Fr= 1--     -0.0141                 0.1004                 0.0526
 Gamma2 Fr= 1--      0.9756                -0.4623                -1.4303
 Delta2 Fr= 1--      0.4799                -0.5867                -0.1825
 Raman1 Fr= 1--       2.087                  8.827                  6.412
 ROA1   Fr= 1--     109.014                -63.152               -143.146
 CID1   Fr= 1--      52.224                 -7.154                -22.326
 Raman2 Fr= 1--       0.875                  1.402                  1.424
 ROA2   Fr= 1--      19.576                 -6.401                -32.867
 CID2   Fr= 1--      22.361                 -4.567                -23.077
 Raman3 Fr= 1--       1.751                  2.803                  2.848
 ROA3   Fr= 1--     109.014                -63.152               -143.146
 CID3   Fr= 1--      62.263                -22.529                -50.254
 RC180  Fr= 1--       0.678                 -0.365                 -0.111
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.01   0.00    -0.06  -0.01  -0.08     0.02   0.02  -0.12
     2   6     0.09  -0.01  -0.10    -0.07  -0.03  -0.01    -0.00   0.01   0.01
     3   6     0.01  -0.11  -0.06    -0.07   0.13  -0.06     0.08  -0.04  -0.02
     4   6    -0.11  -0.01   0.03     0.03   0.05   0.19     0.10   0.01   0.18
     5   6    -0.07   0.05  -0.08     0.13  -0.02  -0.08    -0.08  -0.04  -0.01
     6   6    -0.03   0.16   0.05     0.10  -0.16   0.09    -0.05   0.03   0.08
     7   6     0.03   0.07   0.09     0.13  -0.13   0.10    -0.11   0.16   0.07
     8   1     0.08  -0.09   0.02    -0.06   0.12  -0.18     0.03  -0.07  -0.19
     9   1     0.03  -0.03   0.01     0.04  -0.01  -0.39    -0.17  -0.04  -0.44
    10   1    -0.06   0.16   0.29     0.12  -0.16   0.00    -0.05   0.01  -0.17
    11   6    -0.10  -0.07   0.14    -0.09  -0.02  -0.04     0.13   0.06  -0.11
    12   6    -0.01  -0.01   0.02    -0.01   0.02  -0.00     0.03  -0.03  -0.03
    13   6     0.07  -0.02   0.03    -0.06   0.04  -0.09    -0.05  -0.03  -0.04
    14   1    -0.13  -0.10   0.09    -0.21  -0.03  -0.12     0.11   0.13  -0.05
    15   1     0.05   0.11  -0.04     0.08  -0.06  -0.03    -0.03  -0.14   0.03
    16   1     0.12  -0.19  -0.13     0.05  -0.01  -0.00    -0.12   0.17   0.12
    17   1     0.01   0.19  -0.00     0.01   0.16   0.07     0.01  -0.26   0.01
    18   8     0.07   0.03  -0.01    -0.06  -0.03   0.09    -0.08  -0.01  -0.01
    19   8    -0.04  -0.02  -0.06     0.08   0.01  -0.04     0.02   0.01   0.04
    20   1    -0.03   0.14  -0.23     0.04  -0.03   0.18    -0.01  -0.00   0.18
    21   6    -0.01   0.01  -0.08     0.12  -0.04  -0.09    -0.15   0.02  -0.06
    22   6     0.00   0.02   0.21    -0.01   0.04   0.16     0.03  -0.01   0.13
    23   6     0.09  -0.10  -0.05    -0.09   0.06  -0.05     0.01  -0.04  -0.04
    24   8    -0.05   0.03  -0.03    -0.08   0.09  -0.02     0.10  -0.11  -0.02
    25   6    -0.04  -0.02   0.00    -0.01   0.01  -0.00     0.04   0.01  -0.01
    26   1    -0.00   0.05  -0.09     0.18  -0.12   0.09    -0.15   0.16   0.18
    27   1    -0.00  -0.09  -0.51     0.09  -0.07  -0.35    -0.16   0.01  -0.20
    28   1     0.11  -0.11  -0.31    -0.11   0.04  -0.25    -0.05  -0.07  -0.20
    29   1     0.01  -0.00   0.00     0.09   0.02  -0.01    -0.06   0.01   0.01
    30   1    -0.01  -0.04   0.01     0.07   0.00  -0.00    -0.07  -0.00   0.01
    31   1    -0.06  -0.07   0.00    -0.08  -0.12   0.02     0.12   0.16  -0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --    751.0296               769.7664               784.4519
 Red. masses --      4.8895                 4.5711                 2.6607
 Frc consts  --      1.6249                 1.5958                 0.9647
 IR Inten    --      4.1454                 7.9117                 4.3399
 RamAct Fr= 1--      1.3005                62.2452                 5.7971
  Dep-P Fr= 1--      0.6790                 0.0665                 0.0490
  Dep-U Fr= 1--      0.8088                 0.1247                 0.0935
 Alpha2 Fr= 1--      0.0016                 1.1819                 0.1148
 Beta2  Fr= 1--      0.1753                 1.2940                 0.0903
 AlphaG Fr= 1--     -0.0517                 0.0720                -0.2051
 Gamma2 Fr= 1--      3.0087                 1.1726                 0.0265
 Delta2 Fr= 1--     -0.2923                -0.2068                 0.5900
 Raman1 Fr= 1--       5.202                248.981                 23.188
 ROA1   Fr= 1--     279.483                105.950                 21.430
 CID1   Fr= 1--      53.728                  0.426                  0.924
 Raman2 Fr= 1--       2.104                 15.528                  1.084
 ROA2   Fr= 1--      74.547                 29.796                 -4.083
 CID2   Fr= 1--      35.437                  1.919                 -3.768
 Raman3 Fr= 1--       4.207                 31.055                  2.167
 ROA3   Fr= 1--     279.483                105.950                 21.430
 CID3   Fr= 1--      66.428                  3.412                  9.887
 RC180  Fr= 1--       0.618                 -0.751                 -0.813
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.03     0.04   0.11   0.08    -0.02   0.00  -0.18
     2   6    -0.00  -0.01   0.02    -0.02  -0.12  -0.05     0.03  -0.01   0.22
     3   6     0.01   0.02   0.00    -0.01   0.12  -0.04    -0.02   0.03   0.04
     4   6     0.01   0.00   0.01     0.02   0.04  -0.00    -0.03  -0.01  -0.14
     5   6     0.00   0.00   0.01     0.03  -0.03  -0.05     0.02   0.01   0.08
     6   6    -0.00  -0.02   0.01     0.01  -0.26   0.02    -0.00  -0.06  -0.07
     7   6    -0.01   0.03   0.01    -0.05   0.29  -0.04     0.00   0.06   0.01
     8   1     0.02   0.02  -0.01    -0.03   0.12  -0.04     0.02   0.07   0.40
     9   1    -0.03   0.02  -0.06    -0.08   0.11   0.19     0.01   0.03   0.16
    10   1    -0.02  -0.03  -0.06    -0.02  -0.25   0.29    -0.05  -0.09  -0.21
    11   6     0.01  -0.01   0.05    -0.11  -0.07   0.10    -0.04  -0.02   0.03
    12   6     0.03  -0.16  -0.05    -0.04   0.05   0.04    -0.02   0.03   0.02
    13   6    -0.07   0.51   0.04    -0.02  -0.00  -0.05     0.02  -0.02   0.00
    14   1    -0.09  -0.24  -0.25    -0.12  -0.14   0.02    -0.00  -0.04   0.03
    15   1    -0.07   0.23  -0.09     0.05   0.16  -0.02     0.01   0.04   0.00
    16   1     0.04  -0.39  -0.30     0.13  -0.16  -0.11     0.04  -0.03  -0.02
    17   1     0.01  -0.15  -0.23    -0.02   0.33   0.03    -0.01   0.11   0.02
    18   8     0.08  -0.12  -0.05    -0.03  -0.01   0.06     0.01   0.01   0.01
    19   8    -0.06  -0.09   0.06     0.07   0.01  -0.08     0.01   0.00  -0.02
    20   1     0.01  -0.37  -0.04     0.03   0.07   0.04     0.01  -0.00  -0.04
    21   6    -0.02   0.01  -0.01    -0.05   0.08   0.05    -0.01   0.00  -0.11
    22   6     0.00  -0.00   0.02    -0.03  -0.04  -0.06     0.01   0.00   0.08
    23   6     0.00  -0.01  -0.01     0.03  -0.12   0.03     0.02  -0.03  -0.01
    24   8     0.01  -0.01  -0.00     0.08  -0.08   0.01     0.01  -0.01  -0.00
    25   6     0.01   0.00  -0.00     0.04   0.02  -0.01     0.00   0.00  -0.00
    26   1    -0.01   0.04   0.04    -0.07   0.27  -0.25     0.07   0.11   0.43
    27   1    -0.01   0.00  -0.01     0.06  -0.04  -0.07     0.06   0.02   0.26
    28   1    -0.00  -0.01  -0.04     0.11  -0.09   0.18    -0.02  -0.08  -0.55
    29   1    -0.01   0.00   0.00    -0.04   0.01   0.01    -0.00   0.00  -0.00
    30   1    -0.01   0.00   0.00    -0.04   0.02   0.00    -0.01   0.00   0.00
    31   1     0.02   0.02  -0.00     0.11   0.14  -0.03     0.01   0.02   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    813.6681               820.7669               837.0484
 Red. masses --      3.2777                 1.5208                 1.7272
 Frc consts  --      1.2785                 0.6036                 0.7130
 IR Inten    --      6.0589                22.8057                 2.6706
 RamAct Fr= 1--      5.6723                 0.6690                 1.4145
  Dep-P Fr= 1--      0.4409                 0.2225                 0.3898
  Dep-U Fr= 1--      0.6120                 0.3640                 0.5610
 Alpha2 Fr= 1--      0.0361                 0.0086                 0.0109
 Beta2  Fr= 1--      0.5785                 0.0406                 0.1322
 AlphaG Fr= 1--     -0.0839                -0.0052                -0.0169
 Gamma2 Fr= 1--      0.9381                -0.3785                 0.3503
 Delta2 Fr= 1--     -0.8535                -0.0976                 0.2299
 Raman1 Fr= 1--      22.689                  2.676                  5.658
 ROA1   Fr= 1--      62.742                -39.457                 40.980
 CID1   Fr= 1--       2.765                -14.744                  7.243
 Raman2 Fr= 1--       6.942                  0.487                  1.587
 ROA2   Fr= 1--      29.342                 -8.303                  6.567
 CID2   Fr= 1--       4.226                -17.046                  4.138
 Raman3 Fr= 1--      13.885                  0.974                  3.174
 ROA3   Fr= 1--      62.742                -39.457                 40.980
 CID3   Fr= 1--       4.519                -40.501                 12.912
 RC180  Fr= 1--       0.224                 -0.272                  0.122
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.06  -0.04     0.02   0.00   0.11    -0.03   0.01  -0.04
     2   6    -0.04   0.07   0.07    -0.01   0.00  -0.05     0.03  -0.01   0.07
     3   6     0.13  -0.08  -0.03     0.02  -0.01   0.00    -0.05   0.02  -0.01
     4   6     0.06  -0.00   0.00     0.01   0.00   0.04    -0.00   0.01   0.11
     5   6    -0.01   0.00  -0.03    -0.01  -0.01  -0.06    -0.02  -0.02  -0.09
     6   6    -0.02   0.09  -0.07    -0.00   0.01  -0.01    -0.02  -0.02  -0.09
     7   6    -0.03  -0.07   0.05    -0.02  -0.02  -0.10     0.01   0.01   0.03
     8   1     0.24  -0.03   0.23    -0.01  -0.04  -0.34    -0.08   0.02   0.01
     9   1     0.06   0.02   0.33     0.03   0.02   0.18     0.04   0.05   0.50
    10   1     0.11   0.15   0.24     0.05   0.05   0.28     0.05   0.05   0.62
    11   6     0.05  -0.03   0.15     0.00  -0.00   0.01     0.03   0.04  -0.05
    12   6     0.00   0.02   0.06    -0.00  -0.00   0.00     0.02  -0.03  -0.03
    13   6    -0.10   0.02  -0.10    -0.01   0.01  -0.01     0.01   0.00   0.00
    14   1     0.12  -0.14   0.08     0.00  -0.02   0.00    -0.06   0.10  -0.04
    15   1    -0.11   0.39   0.03    -0.00   0.03  -0.00     0.01  -0.15  -0.00
    16   1     0.02  -0.20  -0.17     0.01  -0.02  -0.02    -0.05   0.10   0.08
    17   1    -0.02   0.03  -0.11    -0.00   0.01  -0.01     0.02  -0.13   0.02
    18   8    -0.11  -0.04   0.05    -0.01  -0.00   0.00     0.01   0.00  -0.01
    19   8     0.12   0.01  -0.13     0.01  -0.00  -0.01    -0.03  -0.00   0.04
    20   1     0.06  -0.00   0.16    -0.00   0.03   0.01    -0.02  -0.01   0.01
    21   6    -0.04  -0.02   0.03    -0.02  -0.01  -0.10     0.02   0.00   0.02
    22   6    -0.02  -0.01  -0.05     0.01   0.01   0.07     0.00  -0.00  -0.07
    23   6    -0.10   0.09   0.02    -0.01   0.01   0.02     0.05  -0.02   0.05
    24   8     0.02  -0.02   0.01     0.00  -0.01  -0.02    -0.01   0.02   0.02
    25   6     0.03   0.02  -0.00     0.01   0.00  -0.00    -0.02  -0.01   0.01
    26   1    -0.13  -0.12  -0.15     0.05   0.04   0.52     0.03   0.00  -0.14
    27   1    -0.12   0.01  -0.15     0.06   0.07   0.64     0.00  -0.02  -0.13
    28   1    -0.24   0.03  -0.17    -0.05  -0.01  -0.13     0.04  -0.05  -0.41
    29   1     0.01   0.02  -0.00     0.01  -0.00  -0.01    -0.01  -0.01   0.01
    30   1     0.02   0.02  -0.00    -0.00   0.01  -0.01    -0.00  -0.01   0.00
    31   1     0.04   0.03  -0.02     0.01   0.01   0.03    -0.02  -0.02  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    854.7622               898.8081               918.0622
 Red. masses --      3.2662                 1.6964                 1.4647
 Frc consts  --      1.4060                 0.8075                 0.7273
 IR Inten    --      6.3561                32.3655                 9.9138
 RamAct Fr= 1--     25.3061                 1.6993                 0.9598
  Dep-P Fr= 1--      0.1014                 0.7494                 0.7202
  Dep-U Fr= 1--      0.1842                 0.8567                 0.8374
 Alpha2 Fr= 1--      0.4415                 0.0000                 0.0005
 Beta2  Fr= 1--      0.7769                 0.2426                 0.1340
 AlphaG Fr= 1--      0.3009                -0.0016                -0.0161
 Gamma2 Fr= 1--     -2.2428                -0.4075                -0.8923
 Delta2 Fr= 1--      0.1524                -0.1031                -0.3302
 Raman1 Fr= 1--     101.224                  6.797                  3.839
 ROA1   Fr= 1--    -210.434                -42.422                -96.225
 CID1   Fr= 1--      -2.079                 -6.241                -25.064
 Raman2 Fr= 1--       9.323                  2.912                  1.607
 ROA2   Fr= 1--     -55.047                 -8.956                -18.772
 CID2   Fr= 1--      -5.904                 -3.076                -11.678
 Raman3 Fr= 1--      18.647                  5.823                  3.215
 ROA3   Fr= 1--    -210.434                -42.422                -96.225
 CID3   Fr= 1--     -11.285                 -7.285                -29.931
 RC180  Fr= 1--      -0.632                  0.713                  0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.06   0.03    -0.00  -0.00  -0.03     0.01   0.00   0.07
     2   6     0.08  -0.03  -0.02     0.01   0.01   0.11    -0.01  -0.01  -0.02
     3   6    -0.16   0.09  -0.01     0.00  -0.00   0.01    -0.02  -0.02  -0.16
     4   6    -0.00  -0.03  -0.01    -0.00   0.00   0.02    -0.00   0.01   0.06
     5   6    -0.08  -0.03   0.03    -0.00  -0.00  -0.05     0.01   0.01  -0.00
     6   6    -0.05   0.02   0.03    -0.00  -0.01  -0.05     0.01  -0.00   0.02
     7   6     0.02  -0.02  -0.01     0.00   0.00   0.02     0.00   0.00   0.01
     8   1    -0.33   0.05   0.10     0.01   0.00   0.01     0.11   0.08   0.85
     9   1    -0.11  -0.02  -0.07     0.05   0.04   0.37     0.01   0.00  -0.03
    10   1    -0.15  -0.02  -0.10     0.02   0.01   0.15    -0.01  -0.01  -0.07
    11   6     0.16   0.02   0.10     0.00   0.01  -0.01    -0.00   0.02  -0.01
    12   6     0.07  -0.01   0.03     0.00  -0.01  -0.01     0.01  -0.02  -0.02
    13   6    -0.07   0.01  -0.05     0.00   0.00  -0.00     0.00  -0.00  -0.01
    14   1     0.21   0.04   0.15    -0.02   0.02  -0.01    -0.06   0.06  -0.01
    15   1    -0.22   0.32   0.10     0.01  -0.03  -0.00     0.01  -0.10  -0.00
    16   1    -0.14   0.01  -0.05    -0.01   0.01   0.01    -0.02   0.05   0.04
    17   1     0.02  -0.37  -0.20     0.00  -0.02   0.01     0.01  -0.07   0.03
    18   8    -0.09  -0.03   0.02     0.00   0.00  -0.00     0.00  -0.00  -0.00
    19   8     0.08   0.01  -0.08    -0.00  -0.00   0.01    -0.01   0.00   0.01
    20   1     0.04  -0.01   0.12    -0.00   0.00   0.00    -0.00  -0.05   0.02
    21   6     0.04  -0.02  -0.02    -0.00  -0.00  -0.03    -0.00   0.00  -0.06
    22   6     0.06   0.03   0.01     0.01   0.01   0.09    -0.01  -0.00   0.01
    23   6     0.17  -0.08  -0.03    -0.02  -0.02  -0.18    -0.01  -0.00   0.01
    24   8    -0.03   0.06  -0.01    -0.00  -0.00  -0.02     0.00  -0.01  -0.00
    25   6    -0.08  -0.05   0.01     0.00   0.00  -0.00     0.01   0.01  -0.00
    26   1     0.16   0.02   0.03    -0.00  -0.00  -0.03    -0.04  -0.02  -0.19
    27   1     0.04   0.00   0.08     0.01   0.00   0.04     0.05   0.04   0.37
    28   1     0.35  -0.01   0.07     0.10   0.09   0.87    -0.02  -0.00   0.02
    29   1    -0.03  -0.04   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    30   1    -0.03  -0.04   0.01    -0.00  -0.00  -0.00     0.00   0.01  -0.00
    31   1    -0.10  -0.10   0.03     0.00   0.00   0.00     0.01   0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    938.5338               950.3572               975.7303
 Red. masses --      3.7058                 1.3427                 1.4081
 Frc consts  --      1.9232                 0.7145                 0.7898
 IR Inten    --     12.0065                 2.2898                 1.0018
 RamAct Fr= 1--      7.4723                 0.8770                 2.8926
  Dep-P Fr= 1--      0.3490                 0.7450                 0.3223
  Dep-U Fr= 1--      0.5175                 0.8539                 0.4874
 Alpha2 Fr= 1--      0.0658                 0.0001                 0.0277
 Beta2  Fr= 1--      0.6445                 0.1248                 0.2350
 AlphaG Fr= 1--      0.1189                -0.0026                 0.2157
 Gamma2 Fr= 1--      2.1590                 0.0815                 1.8127
 Delta2 Fr= 1--     -1.2692                 0.0686                 0.5446
 Raman1 Fr= 1--      29.889                  3.508                 11.570
 ROA1   Fr= 1--     166.653                 10.016                191.443
 CID1   Fr= 1--       5.576                  2.855                 16.546
 Raman2 Fr= 1--       7.733                  1.498                  2.820
 ROA2   Fr= 1--      61.971                  1.407                 39.147
 CID2   Fr= 1--       8.013                  0.939                 13.882
 Raman3 Fr= 1--      15.467                  2.995                  5.640
 ROA3   Fr= 1--     166.653                 10.016                191.443
 CID3   Fr= 1--      10.775                  3.344                 33.944
 RC180  Fr= 1--       0.035                  0.708                 -0.025
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.06   0.01     0.01   0.01   0.04     0.00   0.01  -0.01
     2   6    -0.05  -0.06   0.01     0.00   0.00   0.01    -0.00  -0.00  -0.02
     3   6    -0.10  -0.12   0.04    -0.00  -0.00  -0.06     0.01  -0.03   0.02
     4   6    -0.12  -0.03  -0.00     0.00   0.00   0.02    -0.01   0.01   0.01
     5   6     0.14   0.19  -0.04    -0.01  -0.01  -0.01    -0.01   0.01  -0.12
     6   6     0.04   0.01  -0.00     0.00  -0.00   0.01     0.01  -0.01   0.12
     7   6     0.03   0.03  -0.02    -0.02  -0.01  -0.12     0.00   0.02   0.01
     8   1    -0.17  -0.15  -0.08     0.05   0.03   0.29     0.01  -0.03  -0.07
     9   1     0.23   0.11  -0.01     0.00   0.01   0.09     0.07   0.11   0.66
    10   1    -0.18  -0.05  -0.02     0.00  -0.01  -0.05    -0.12  -0.11  -0.66
    11   6     0.06   0.04   0.04    -0.00   0.01  -0.00    -0.00   0.02   0.01
    12   6     0.08  -0.03  -0.02    -0.00  -0.01  -0.01     0.01  -0.02  -0.01
    13   6    -0.02  -0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.01   0.18   0.15    -0.02   0.02  -0.01    -0.02   0.04   0.03
    15   1    -0.17   0.05   0.09     0.01  -0.04  -0.00    -0.00  -0.03   0.00
    16   1    -0.19   0.15   0.06     0.00   0.01   0.01    -0.02   0.01   0.01
    17   1     0.04  -0.47  -0.12     0.00  -0.00   0.01     0.01  -0.06  -0.00
    18   8    -0.02  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    19   8     0.02   0.00  -0.03    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1     0.02   0.01  -0.01    -0.00  -0.02   0.01     0.00   0.01  -0.00
    21   6     0.13   0.19  -0.02     0.00   0.00   0.09    -0.02  -0.04   0.00
    22   6    -0.10  -0.03   0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    23   6    -0.12  -0.12   0.03     0.00   0.01  -0.01     0.00   0.04   0.02
    24   8     0.00  -0.07   0.01     0.00   0.00   0.00     0.00   0.01   0.00
    25   6     0.09   0.07  -0.02    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    26   1    -0.15  -0.01   0.12     0.09   0.08   0.73     0.06   0.03  -0.08
    27   1     0.19   0.12  -0.14    -0.07  -0.07  -0.55     0.01  -0.06   0.03
    28   1    -0.20  -0.15   0.03     0.01   0.01   0.05     0.00   0.04  -0.10
    29   1     0.04   0.06  -0.01     0.00   0.00   0.00    -0.00  -0.01   0.00
    30   1     0.04   0.06  -0.01    -0.01  -0.01   0.00    -0.00  -0.01   0.00
    31   1     0.11   0.11  -0.03    -0.01  -0.01  -0.01    -0.02  -0.02   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    979.4405              1013.2051              1069.6555
 Red. masses --      3.0946                 2.2961                 3.6461
 Frc consts  --      1.7491                 1.3888                 2.4579
 IR Inten    --      2.7261                10.9183                57.0531
 RamAct Fr= 1--     17.2228                 2.7813                 2.7402
  Dep-P Fr= 1--      0.1317                 0.6266                 0.0533
  Dep-U Fr= 1--      0.2327                 0.7704                 0.1011
 Alpha2 Fr= 1--      0.2788                 0.0063                 0.0537
 Beta2  Fr= 1--      0.6679                 0.3571                 0.0462
 AlphaG Fr= 1--     -0.3533                 0.0336                 0.0099
 Gamma2 Fr= 1--     -2.0675                 0.7480                 0.0436
 Delta2 Fr= 1--     -0.4628                -1.6707                 0.0013
 Raman1 Fr= 1--      68.891                 11.125                 10.961
 ROA1   Fr= 1--    -213.287                 18.351                  4.225
 CID1   Fr= 1--      -3.096                  1.649                  0.385
 Raman2 Fr= 1--       8.015                  4.286                  0.554
 ROA2   Fr= 1--     -45.917                 31.318                  1.035
 CID2   Fr= 1--      -5.729                  7.308                  1.868
 Raman3 Fr= 1--      16.030                  8.571                  1.108
 ROA3   Fr= 1--    -213.287                 18.351                  4.225
 CID3   Fr= 1--     -13.305                  2.141                  3.812
 RC180  Fr= 1--      -0.535                  0.541                 -0.798
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.00    -0.03   0.01   0.00    -0.02  -0.01   0.00
     2   6    -0.00   0.02  -0.01    -0.01  -0.02   0.00    -0.06   0.05   0.00
     3   6    -0.02   0.16  -0.02    -0.04  -0.08  -0.00     0.02  -0.06   0.00
     4   6     0.08  -0.01   0.01     0.03  -0.04   0.04     0.02  -0.00  -0.00
     5   6    -0.06  -0.15  -0.04     0.03   0.11  -0.03     0.03   0.04  -0.01
     6   6     0.00   0.13   0.04    -0.03   0.00   0.01    -0.00  -0.04   0.00
     7   6    -0.01  -0.11   0.02     0.01   0.02  -0.01    -0.03   0.02   0.00
     8   1    -0.02   0.16   0.00    -0.18  -0.12   0.12     0.01  -0.06   0.01
     9   1     0.07  -0.18   0.35    -0.00   0.16   0.04    -0.05   0.12  -0.01
    10   1     0.21   0.16  -0.35    -0.25  -0.06   0.03    -0.00  -0.04   0.01
    11   6     0.01  -0.05  -0.05     0.09  -0.13  -0.13     0.00  -0.00   0.01
    12   6    -0.04   0.05   0.03    -0.03   0.13   0.10    -0.02  -0.00  -0.01
    13   6     0.01   0.01  -0.01     0.02  -0.01  -0.06    -0.01   0.01   0.01
    14   1     0.02  -0.16  -0.15     0.10  -0.43  -0.44     0.04   0.01   0.05
    15   1     0.06   0.06  -0.02    -0.06   0.47   0.04     0.04  -0.09  -0.02
    16   1     0.08  -0.05  -0.03     0.02  -0.09  -0.13     0.03   0.01   0.03
    17   1    -0.03   0.26   0.04    -0.04   0.23  -0.09    -0.01   0.07   0.05
    18   8     0.01   0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00  -0.00
    19   8    -0.02  -0.00   0.03    -0.04  -0.01   0.08     0.01  -0.00  -0.01
    20   1    -0.02  -0.01   0.04    -0.05  -0.02   0.11     0.01   0.00  -0.03
    21   6     0.07   0.19  -0.03     0.01  -0.02   0.00     0.04   0.11  -0.02
    22   6    -0.06  -0.00   0.00     0.01   0.00  -0.00     0.15  -0.07  -0.01
    23   6    -0.00  -0.19   0.03     0.00   0.02  -0.00    -0.04  -0.08   0.01
    24   8    -0.00  -0.04   0.00     0.00   0.01  -0.00     0.17   0.20  -0.04
    25   6     0.04   0.03  -0.01    -0.01  -0.00   0.00    -0.20  -0.19   0.04
    26   1    -0.31  -0.20   0.04     0.08   0.05  -0.01    -0.24  -0.03   0.03
    27   1    -0.04   0.30  -0.02     0.04  -0.04  -0.00    -0.10   0.25  -0.01
    28   1    -0.07  -0.22  -0.01     0.04   0.03  -0.01    -0.64  -0.28   0.11
    29   1     0.00   0.02  -0.00     0.00  -0.00  -0.00    -0.10  -0.13   0.04
    30   1     0.00   0.02  -0.00     0.00  -0.00   0.00    -0.11  -0.14   0.01
    31   1     0.07   0.07  -0.02    -0.01  -0.01   0.00    -0.16  -0.15   0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1077.3910              1091.4306              1164.9454
 Red. masses --      2.2671                 1.6796                 1.5982
 Frc consts  --      1.5505                 1.1788                 1.2779
 IR Inten    --     14.9109                 4.6656                24.3909
 RamAct Fr= 1--      8.6674                 6.3893                 1.1775
  Dep-P Fr= 1--      0.6319                 0.1479                 0.7350
  Dep-U Fr= 1--      0.7744                 0.2577                 0.8473
 Alpha2 Fr= 1--      0.0186                 0.0993                 0.0003
 Beta2  Fr= 1--      1.1187                 0.2744                 0.1663
 AlphaG Fr= 1--      0.0283                -0.1240                 0.0007
 Gamma2 Fr= 1--     -1.7598                 1.0421                -1.6530
 Delta2 Fr= 1--     -0.0150                 0.9346                -2.3834
 Raman1 Fr= 1--      34.670                 25.557                  4.710
 ROA1   Fr= 1--    -169.421                129.943               -234.953
 CID1   Fr= 1--      -4.887                  5.084                -49.884
 Raman2 Fr= 1--      13.425                  3.292                  1.995
 ROA2   Fr= 1--     -42.115                 17.533                -20.603
 CID2   Fr= 1--      -3.137                  5.325                -10.326
 Raman3 Fr= 1--      26.850                  6.585                  3.991
 ROA3   Fr= 1--    -169.421                129.943               -234.953
 CID3   Fr= 1--      -6.310                 19.734                -58.874
 RC180  Fr= 1--       0.549                 -0.485                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.00    -0.03   0.02   0.00     0.01  -0.08   0.01
     2   6     0.01   0.02  -0.00     0.01   0.00  -0.00     0.01  -0.04   0.00
     3   6    -0.01   0.00   0.00    -0.05  -0.07   0.01    -0.05   0.05  -0.00
     4   6    -0.10   0.07   0.00     0.03   0.01   0.01    -0.07   0.05   0.01
     5   6    -0.01  -0.06   0.01     0.02   0.02  -0.01     0.01  -0.06   0.00
     6   6     0.04  -0.04  -0.00     0.00  -0.01   0.00    -0.02   0.04  -0.00
     7   6    -0.01   0.02  -0.00    -0.00  -0.01   0.00    -0.05   0.08  -0.00
     8   1     0.18   0.06  -0.04    -0.24  -0.13   0.07     0.17   0.11  -0.02
     9   1     0.05  -0.13  -0.01    -0.00   0.04   0.00     0.32  -0.35   0.00
    10   1     0.20   0.00  -0.02    -0.07  -0.03   0.01    -0.11   0.02   0.01
    11   6    -0.02   0.20  -0.03     0.08   0.13  -0.00     0.06  -0.03  -0.01
    12   6     0.06  -0.11   0.09    -0.11  -0.08  -0.01    -0.02   0.03  -0.01
    13   6     0.04  -0.11  -0.07    -0.02   0.00   0.05    -0.01   0.02   0.01
    14   1    -0.00  -0.07  -0.29     0.43  -0.03   0.05     0.22  -0.10   0.03
    15   1    -0.09   0.50   0.02     0.29  -0.20  -0.18     0.04  -0.07  -0.02
    16   1     0.03  -0.47  -0.31     0.32  -0.31  -0.07     0.03   0.06   0.04
    17   1     0.02  -0.10  -0.27    -0.04   0.53   0.13    -0.01   0.04   0.04
    18   8     0.02   0.03   0.00    -0.03  -0.00  -0.01    -0.01  -0.01  -0.00
    19   8    -0.04   0.01   0.05     0.02   0.01  -0.03     0.01  -0.00  -0.01
    20   1    -0.05   0.00   0.13     0.03   0.01  -0.06     0.01  -0.00  -0.02
    21   6     0.01   0.01  -0.00     0.02   0.01  -0.00     0.05  -0.04  -0.00
    22   6     0.01  -0.01  -0.00    -0.01   0.01   0.00    -0.02   0.00   0.00
    23   6    -0.01  -0.00   0.00     0.01  -0.01   0.00    -0.03   0.06  -0.00
    24   8     0.01   0.01  -0.00    -0.02  -0.02   0.00     0.04   0.02  -0.01
    25   6    -0.01  -0.01   0.00     0.02   0.02  -0.00    -0.03  -0.02   0.00
    26   1    -0.05   0.00   0.00     0.04   0.01  -0.00    -0.38  -0.02   0.05
    27   1     0.04  -0.02  -0.00     0.03  -0.00  -0.00     0.50  -0.44  -0.01
    28   1    -0.11  -0.03   0.02     0.04  -0.00  -0.00    -0.01   0.07  -0.01
    29   1    -0.00  -0.01   0.00     0.01   0.01  -0.00     0.03  -0.00  -0.00
    30   1    -0.00  -0.01   0.00     0.01   0.01  -0.00     0.02  -0.01   0.00
    31   1    -0.01  -0.01   0.00     0.01   0.01  -0.00    -0.02  -0.00   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1172.5591              1181.4664              1187.9317
 Red. masses --      1.2707                 1.7590                 1.7944
 Frc consts  --      1.0294                 1.4466                 1.4920
 IR Inten    --      0.8504                45.1883                68.4693
 RamAct Fr= 1--      0.8814                11.4476                16.7889
  Dep-P Fr= 1--      0.7477                 0.1016                 0.4352
  Dep-U Fr= 1--      0.8556                 0.1844                 0.6065
 Alpha2 Fr= 1--      0.0000                 0.1996                 0.1091
 Beta2  Fr= 1--      0.1257                 0.3519                 1.6970
 AlphaG Fr= 1--     -0.0058                -0.0511                -0.0050
 Gamma2 Fr= 1--     -0.0259                -0.3105                -6.7486
 Delta2 Fr= 1--      0.0000                -0.0362                -0.8136
 Raman1 Fr= 1--       3.526                 45.791                 67.156
 ROA1   Fr= 1--      -2.488                -30.968               -673.897
 CID1   Fr= 1--      -0.706                 -0.676                -10.035
 Raman2 Fr= 1--       1.508                  4.223                 20.364
 ROA2   Fr= 1--      -0.623                 -7.163               -155.457
 CID2   Fr= 1--      -0.413                 -1.696                 -7.634
 Raman3 Fr= 1--       3.017                  8.446                 40.728
 ROA3   Fr= 1--      -2.488                -30.968               -673.897
 CID3   Fr= 1--      -0.825                 -3.667                -16.546
 RC180  Fr= 1--       0.711                 -0.631                  0.213
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.02   0.03  -0.00    -0.07  -0.04   0.01
     2   6    -0.00   0.00  -0.00    -0.06  -0.08   0.02    -0.10  -0.03   0.02
     3   6     0.00  -0.00   0.00     0.03   0.05  -0.01     0.02  -0.02  -0.01
     4   6     0.00  -0.00  -0.00     0.06  -0.06  -0.01    -0.02  -0.01   0.02
     5   6    -0.00   0.00   0.00     0.07   0.00  -0.01    -0.03   0.03  -0.00
     6   6     0.00  -0.00   0.00    -0.05   0.08  -0.00     0.05   0.02  -0.01
     7   6     0.00  -0.00   0.00     0.03  -0.02  -0.00     0.03   0.02  -0.01
     8   1    -0.00  -0.00  -0.00    -0.15  -0.00   0.01     0.21   0.04   0.01
     9   1    -0.00   0.00  -0.00     0.44  -0.34  -0.02    -0.15   0.14   0.02
    10   1     0.00  -0.00  -0.00    -0.42  -0.02   0.05     0.54   0.17  -0.08
    11   6    -0.00   0.00   0.00    -0.04   0.06   0.01    -0.01  -0.01  -0.08
    12   6     0.00  -0.00   0.00    -0.00  -0.03   0.01     0.01   0.01   0.03
    13   6     0.00  -0.00  -0.00     0.01  -0.02  -0.01    -0.02  -0.00   0.13
    14   1    -0.00   0.00  -0.00    -0.18   0.10  -0.04     0.07  -0.02  -0.04
    15   1    -0.00   0.00   0.00     0.01   0.03  -0.01    -0.03   0.11   0.02
    16   1    -0.00  -0.00  -0.00     0.01  -0.09  -0.04    -0.02  -0.07  -0.07
    17   1     0.00  -0.00  -0.00    -0.00   0.02  -0.02    -0.01  -0.04  -0.07
    18   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.04  -0.01  -0.01
    19   8    -0.00   0.00   0.00    -0.01   0.00   0.00     0.05   0.01  -0.03
    20   1    -0.00   0.00   0.00    -0.01  -0.00   0.04     0.12   0.03  -0.40
    21   6    -0.00   0.00   0.00    -0.04  -0.02   0.01    -0.01   0.02  -0.00
    22   6     0.00   0.00   0.00    -0.06   0.04   0.00    -0.07  -0.01   0.01
    23   6     0.00  -0.00  -0.00    -0.04  -0.01   0.01     0.01  -0.01  -0.00
    24   8     0.01   0.01   0.06     0.06   0.05  -0.01     0.06   0.03  -0.01
    25   6    -0.02  -0.01  -0.14     0.01  -0.09   0.01    -0.02  -0.05   0.01
    26   1     0.00  -0.00  -0.00     0.21   0.03  -0.03     0.17   0.06  -0.03
    27   1    -0.00   0.00   0.01    -0.12   0.05   0.01     0.10  -0.08  -0.00
    28   1     0.00   0.00   0.01     0.26   0.08  -0.04     0.46   0.13  -0.07
    29   1     0.44   0.50   0.07    -0.20  -0.03   0.08    -0.05  -0.01   0.03
    30   1    -0.40  -0.46   0.28    -0.21  -0.04  -0.02    -0.05  -0.02  -0.01
    31   1     0.03   0.03   0.28     0.22   0.28  -0.06     0.08   0.11  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1196.1426              1199.4921              1206.3382
 Red. masses --      1.9037                 1.4309                 1.6150
 Frc consts  --      1.6048                 1.2130                 1.3847
 IR Inten    --     10.9382                21.2739                 0.4607
 RamAct Fr= 1--     18.6348                60.7806                 2.6941
  Dep-P Fr= 1--      0.7498                 0.2458                 0.3075
  Dep-U Fr= 1--      0.8570                 0.3946                 0.4704
 Alpha2 Fr= 1--      0.0001                 0.7289                 0.0270
 Beta2  Fr= 1--      2.6617                 3.9969                 0.2112
 AlphaG Fr= 1--      0.0021                 0.1346                 0.0494
 Gamma2 Fr= 1--      1.5107                14.3046                 1.8497
 Delta2 Fr= 1--     -0.5100                -0.1594                -0.0725
 Raman1 Fr= 1--      74.539                243.122                 10.776
 ROA1   Fr= 1--     128.705               1368.144                175.249
 CID1   Fr= 1--       1.727                  5.627                 16.262
 Raman2 Fr= 1--      31.940                 47.962                  2.535
 ROA2   Fr= 1--      40.336                344.587                 44.973
 CID2   Fr= 1--       1.263                  7.185                 17.744
 Raman3 Fr= 1--      63.880                 95.925                  5.069
 ROA3   Fr= 1--     128.705               1368.144                175.249
 CID3   Fr= 1--       2.015                 14.263                 34.573
 RC180  Fr= 1--       0.714                 -0.211                 -0.059
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.02  -0.01    -0.03  -0.01   0.00     0.07   0.03  -0.01
     2   6     0.06   0.00  -0.01     0.00  -0.00   0.00     0.09   0.05  -0.02
     3   6     0.00   0.03  -0.01    -0.00  -0.02   0.00    -0.03  -0.02   0.00
     4   6     0.00   0.00   0.03    -0.12   0.06   0.01    -0.02   0.05   0.01
     5   6     0.02  -0.03  -0.00    -0.01  -0.03   0.00    -0.02  -0.01   0.00
     6   6    -0.03  -0.01   0.00     0.01  -0.03   0.00     0.00  -0.05   0.01
     7   6    -0.01  -0.00   0.00     0.04   0.01  -0.01    -0.02  -0.04   0.01
     8   1     0.01   0.03   0.04     0.42   0.11  -0.05    -0.15  -0.06   0.03
     9   1     0.22  -0.21   0.01     0.20  -0.24   0.00    -0.20   0.16   0.01
    10   1    -0.41  -0.12   0.07     0.01  -0.03   0.00     0.06  -0.04  -0.00
    11   6    -0.04  -0.01  -0.11     0.07  -0.04   0.01    -0.01  -0.03  -0.02
    12   6     0.03   0.01   0.04    -0.02   0.03  -0.02     0.02   0.01   0.00
    13   6    -0.03  -0.01   0.19    -0.01   0.02  -0.02    -0.01   0.01   0.03
    14   1    -0.01   0.00  -0.07     0.31  -0.15   0.04     0.08  -0.05   0.01
    15   1    -0.07   0.17   0.05     0.04  -0.09  -0.02    -0.03   0.02   0.02
    16   1    -0.06  -0.10  -0.11     0.03   0.10   0.07    -0.04   0.03  -0.00
    17   1     0.00  -0.09  -0.13    -0.01   0.01   0.07     0.01  -0.05  -0.03
    18   8    -0.05  -0.01  -0.01     0.01  -0.00  -0.00    -0.01  -0.00  -0.00
    19   8     0.07   0.01  -0.04    -0.01  -0.00   0.00     0.01   0.00  -0.01
    20   1     0.17   0.03  -0.54    -0.02  -0.00   0.08     0.04   0.00  -0.11
    21   6    -0.01  -0.00   0.00    -0.03   0.02   0.00     0.01  -0.04   0.00
    22   6     0.06  -0.00  -0.01     0.01   0.01  -0.00    -0.03   0.06  -0.00
    23   6    -0.01   0.01  -0.00    -0.01  -0.02   0.00    -0.02  -0.01   0.00
    24   8    -0.04  -0.03   0.01    -0.02   0.01   0.00    -0.04   0.04   0.00
    25   6     0.00   0.05  -0.01     0.03  -0.02  -0.00     0.09  -0.08  -0.00
    26   1     0.03   0.01  -0.00     0.52   0.15  -0.08    -0.17  -0.09   0.03
    27   1    -0.18   0.15   0.00    -0.30   0.26   0.01     0.12  -0.14   0.00
    28   1    -0.33  -0.09   0.05    -0.12  -0.06   0.02    -0.24  -0.08   0.04
    29   1     0.09   0.01  -0.04    -0.09  -0.00   0.03    -0.36  -0.01   0.12
    30   1     0.09   0.02   0.01    -0.10  -0.01  -0.01    -0.37  -0.03  -0.03
    31   1    -0.12  -0.16   0.03     0.09   0.09  -0.02     0.40   0.48  -0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1262.6288              1297.6505              1303.7685
 Red. masses --      1.8247                 1.7861                 1.4240
 Frc consts  --      1.7139                 1.7720                 1.4261
 IR Inten    --     87.0675                11.5814                23.6716
 RamAct Fr= 1--     46.2975                 4.2896                10.1381
  Dep-P Fr= 1--      0.2521                 0.2239                 0.5806
  Dep-U Fr= 1--      0.4027                 0.3659                 0.7346
 Alpha2 Fr= 1--      0.5455                 0.0546                 0.0322
 Beta2  Fr= 1--      3.1070                 0.2616                 1.2413
 AlphaG Fr= 1--      0.3186                -0.0500                 0.0518
 Gamma2 Fr= 1--      1.8869                -4.5797                 2.2445
 Delta2 Fr= 1--     -1.4855                -0.1184                -3.5058
 Raman1 Fr= 1--     185.190                 17.158                 40.552
 ROA1   Fr= 1--     133.607               -443.439                103.288
 CID1   Fr= 1--       0.721                -25.844                  2.547
 Raman2 Fr= 1--      37.284                  3.139                 14.895
 ROA2   Fr= 1--      57.169               -108.965                 81.915
 CID2   Fr= 1--       1.533                -34.711                  5.499
 Raman3 Fr= 1--      74.567                  6.278                 29.791
 ROA3   Fr= 1--     133.607               -443.439                103.288
 CID3   Fr= 1--       1.792                -70.628                  3.467
 RC180  Fr= 1--      -0.195                 -0.268                  0.469
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.15   0.08  -0.03    -0.07   0.13  -0.00    -0.04   0.00   0.00
     2   6    -0.02   0.02   0.00    -0.05   0.15  -0.01    -0.03   0.01   0.00
     3   6    -0.02  -0.03   0.00     0.05  -0.05  -0.00     0.02  -0.01  -0.00
     4   6    -0.07   0.11   0.01    -0.03  -0.01   0.00     0.02  -0.01   0.02
     5   6     0.01  -0.01  -0.00     0.03  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.02  -0.04   0.01    -0.02  -0.06   0.01    -0.00   0.00  -0.00
     7   6     0.01  -0.05   0.00    -0.02  -0.05   0.01    -0.00   0.01  -0.00
     8   1    -0.47  -0.15   0.08     0.51   0.07  -0.07     0.07   0.01   0.02
     9   1     0.16  -0.15   0.00     0.08  -0.05  -0.01     0.04  -0.02   0.02
    10   1     0.21   0.02  -0.03    -0.38  -0.17   0.07    -0.06  -0.01   0.01
    11   6    -0.03  -0.03  -0.01     0.01   0.01   0.02    -0.08  -0.05  -0.11
    12   6     0.03   0.02  -0.01    -0.00   0.01  -0.01     0.01  -0.01   0.06
    13   6    -0.00   0.01  -0.01    -0.00  -0.01   0.01    -0.01   0.03  -0.02
    14   1     0.38  -0.16   0.10    -0.04  -0.10  -0.13     0.40   0.42   0.66
    15   1    -0.05  -0.01   0.03     0.01  -0.04  -0.00    -0.02   0.16   0.03
    16   1    -0.06   0.08   0.02     0.03   0.02   0.01    -0.04  -0.14  -0.10
    17   1     0.02  -0.06  -0.03    -0.00  -0.06   0.03    -0.02   0.03  -0.12
    18   8     0.01  -0.00   0.00    -0.01  -0.00  -0.00     0.05   0.01   0.00
    19   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.01  -0.02
    20   1     0.01   0.00  -0.03     0.01   0.00  -0.03    -0.08  -0.01   0.28
    21   6    -0.03  -0.03   0.01     0.04   0.00  -0.01     0.01   0.00  -0.00
    22   6    -0.05   0.02   0.00     0.01  -0.04   0.00     0.03  -0.03  -0.00
    23   6    -0.05  -0.03   0.01     0.04  -0.05   0.00     0.02  -0.00  -0.00
    24   8     0.07  -0.01  -0.01    -0.02   0.01   0.00    -0.03   0.01   0.00
    25   6    -0.05   0.01   0.00     0.02  -0.00  -0.00     0.02   0.00  -0.00
    26   1    -0.21  -0.13   0.04    -0.42  -0.16   0.07    -0.07  -0.00   0.01
    27   1    -0.26   0.18   0.01     0.04   0.00  -0.01     0.02   0.00  -0.00
    28   1     0.37   0.10  -0.06     0.46   0.08  -0.06     0.05   0.01  -0.01
    29   1     0.13   0.00  -0.03    -0.04   0.00   0.01    -0.05  -0.00   0.01
    30   1     0.14   0.01   0.00    -0.04  -0.00  -0.00    -0.05  -0.00   0.00
    31   1    -0.13  -0.14   0.03     0.03   0.03  -0.01     0.02   0.02  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1307.8195              1328.3309              1344.8662
 Red. masses --      2.5425                 1.7275                 1.8393
 Frc consts  --      2.5621                 1.7959                 1.9600
 IR Inten    --    246.2881               257.6837                 9.7759
 RamAct Fr= 1--     43.3039                 2.8866                 3.4454
  Dep-P Fr= 1--      0.2039                 0.2545                 0.5698
  Dep-U Fr= 1--      0.3387                 0.4058                 0.7259
 Alpha2 Fr= 1--      0.5820                 0.0338                 0.0117
 Beta2  Fr= 1--      2.4446                 0.1952                 0.4169
 AlphaG Fr= 1--      0.1586                 0.0212                 0.0281
 Gamma2 Fr= 1--      1.3308                -0.2502                -2.6505
 Delta2 Fr= 1--     -0.6945                 0.3517                -3.9595
 Raman1 Fr= 1--     173.215                 11.547                 13.782
 ROA1   Fr= 1--     105.530                -12.763               -381.148
 CID1   Fr= 1--       0.609                 -1.105                -27.656
 Raman2 Fr= 1--      29.335                  2.343                  5.002
 ROA2   Fr= 1--      37.495                 -8.819                -31.935
 CID2   Fr= 1--       1.278                 -3.765                 -6.384
 Raman3 Fr= 1--      58.670                  4.685                 10.005
 ROA3   Fr= 1--     105.530                -12.763               -381.148
 CID3   Fr= 1--       1.799                 -2.724                -38.097
 RC180  Fr= 1--      -0.323                 -0.188                  0.452
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03   0.00     0.00  -0.00  -0.00     0.11   0.01  -0.01
     2   6    -0.11  -0.09   0.02     0.01   0.00  -0.00     0.02  -0.00  -0.00
     3   6     0.02   0.02  -0.00    -0.00  -0.00  -0.00    -0.06   0.04   0.00
     4   6    -0.01   0.00  -0.00     0.00   0.00   0.01    -0.10  -0.03  -0.00
     5   6    -0.00   0.04  -0.00     0.00  -0.00  -0.00     0.01   0.01  -0.00
     6   6    -0.01   0.02  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
     7   6     0.01   0.09  -0.01    -0.00  -0.01   0.00     0.04   0.01  -0.01
     8   1    -0.28  -0.06   0.04    -0.02  -0.01   0.02     0.14   0.10  -0.03
     9   1     0.24  -0.18  -0.01    -0.03   0.03   0.01    -0.09   0.11  -0.00
    10   1     0.37   0.13  -0.06     0.01   0.00   0.00     0.03  -0.00  -0.01
    11   6     0.02   0.02   0.03    -0.02   0.02  -0.02     0.16  -0.06  -0.04
    12   6     0.00   0.00  -0.02     0.02   0.02  -0.01    -0.06  -0.01   0.05
    13   6    -0.00  -0.01   0.02    -0.02  -0.02   0.19    -0.01   0.01   0.03
    14   1    -0.05  -0.15  -0.18    -0.02  -0.23  -0.27    -0.55   0.52   0.10
    15   1     0.00  -0.04  -0.00    -0.01  -0.08   0.02     0.17   0.07  -0.08
    16   1    -0.01   0.05   0.03    -0.03   0.00  -0.04     0.17  -0.18  -0.04
    17   1     0.01   0.00   0.02     0.01  -0.10  -0.03    -0.06   0.11  -0.04
    18   8    -0.01  -0.00  -0.00     0.05   0.01  -0.03    -0.01  -0.00  -0.01
    19   8     0.00   0.00  -0.01    -0.01  -0.00  -0.13     0.00  -0.00  -0.02
    20   1    -0.01   0.00   0.03    -0.22  -0.03   0.86    -0.03  -0.01   0.14
    21   6     0.03  -0.03  -0.00    -0.00   0.00  -0.00    -0.02  -0.03   0.00
    22   6     0.20  -0.13  -0.01    -0.01   0.01   0.00    -0.02  -0.02   0.00
    23   6     0.02   0.03  -0.01    -0.00  -0.00   0.00    -0.04   0.02   0.00
    24   8    -0.15   0.04   0.01     0.01  -0.00  -0.00     0.02   0.01  -0.00
    25   6     0.09   0.01  -0.01    -0.01  -0.00   0.00    -0.00  -0.01   0.00
    26   1    -0.42  -0.03   0.05     0.04   0.01  -0.00    -0.21  -0.07   0.03
    27   1    -0.24   0.23   0.00     0.02  -0.02   0.00    -0.23   0.16   0.01
    28   1     0.15   0.07  -0.02    -0.01  -0.00   0.00     0.10   0.07  -0.02
    29   1    -0.26  -0.02   0.05     0.02  -0.00  -0.01     0.00   0.00   0.00
    30   1    -0.27  -0.02   0.02     0.02  -0.00   0.00     0.00   0.00  -0.01
    31   1     0.08   0.01  -0.01    -0.01  -0.00   0.00    -0.01  -0.02   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1384.9060              1404.5801              1412.7643
 Red. masses --      2.4156                 2.4699                 1.3958
 Frc consts  --      2.7297                 2.8709                 1.6414
 IR Inten    --     21.4851                 8.3361                 4.8830
 RamAct Fr= 1--     98.9452               118.3782                18.1480
  Dep-P Fr= 1--      0.1992                 0.2069                 0.2529
  Dep-U Fr= 1--      0.3323                 0.3429                 0.4037
 Alpha2 Fr= 1--      1.3464                 1.5783                 0.2134
 Beta2  Fr= 1--      5.4793                 6.7649                 1.2210
 AlphaG Fr= 1--     -0.5073                 0.3882                 0.1178
 Gamma2 Fr= 1--     -0.2349                 0.7899                 1.9392
 Delta2 Fr= 1--      9.0636                 2.1008                 1.9094
 Raman1 Fr= 1--     395.781                473.513                 72.592
 ROA1   Fr= 1--     267.484                143.058                247.261
 CID1   Fr= 1--       0.676                  0.302                  3.406
 Raman2 Fr= 1--      65.751                 81.179                 14.652
 ROA2   Fr= 1--     -78.147                  2.151                 31.265
 CID2   Fr= 1--      -1.189                  0.026                  2.134
 Raman3 Fr= 1--     131.503                162.358                 29.305
 ROA3   Fr= 1--     267.484                143.058                247.261
 CID3   Fr= 1--       2.034                  0.881                  8.438
 RC180  Fr= 1--      -0.335                 -0.314                 -0.193
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.12  -0.01    -0.03  -0.08   0.01     0.01  -0.03   0.00
     2   6    -0.04  -0.05   0.01    -0.07   0.14  -0.01     0.02   0.02  -0.00
     3   6     0.06  -0.08   0.00     0.07   0.00  -0.01    -0.05  -0.02   0.01
     4   6     0.02   0.09  -0.02    -0.03   0.07  -0.01     0.03   0.04  -0.01
     5   6     0.01   0.03  -0.00    -0.05   0.04   0.00     0.04  -0.04  -0.00
     6   6    -0.08  -0.03   0.01     0.00  -0.09   0.01    -0.03   0.01   0.00
     7   6    -0.13  -0.05   0.02     0.10  -0.03  -0.01    -0.04   0.02   0.00
     8   1    -0.00  -0.10   0.01    -0.43  -0.14   0.06     0.12   0.02  -0.01
     9   1     0.32  -0.25  -0.01     0.32  -0.32  -0.00    -0.08   0.08   0.00
    10   1     0.45   0.13  -0.07    -0.00  -0.10   0.01    -0.02   0.02  -0.00
    11   6     0.05  -0.05  -0.01     0.05  -0.04  -0.01    -0.00  -0.00  -0.01
    12   6    -0.02  -0.00   0.02     0.00  -0.05  -0.00     0.03  -0.11  -0.04
    13   6    -0.00   0.00   0.01    -0.01   0.00   0.02    -0.01  -0.00   0.02
    14   1    -0.41   0.27   0.02    -0.25   0.17   0.00    -0.07   0.04  -0.01
    15   1     0.05   0.04  -0.02    -0.07   0.21  -0.02    -0.30   0.46   0.01
    16   1     0.05  -0.06  -0.01    -0.08   0.12   0.13    -0.21   0.34   0.31
    17   1    -0.02   0.02  -0.02     0.03   0.27   0.05     0.09   0.51   0.21
    18   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00  -0.00
    19   8     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00   0.00  -0.01
    20   1    -0.01  -0.00   0.03    -0.01   0.00   0.05    -0.01  -0.01   0.03
    21   6     0.06  -0.03  -0.00    -0.12   0.09   0.00     0.04  -0.02  -0.00
    22   6     0.09   0.17  -0.03    -0.06  -0.07   0.01     0.02  -0.00  -0.00
    23   6    -0.00  -0.10   0.01     0.17   0.03  -0.02    -0.05  -0.02   0.01
    24   8    -0.02  -0.03   0.00    -0.01  -0.01   0.00     0.00   0.01  -0.00
    25   6    -0.01   0.03  -0.00    -0.01  -0.01   0.00     0.01   0.00  -0.00
    26   1     0.24   0.06  -0.03     0.02  -0.06   0.00     0.09   0.06  -0.02
    27   1     0.26  -0.21  -0.01     0.22  -0.22  -0.00    -0.06   0.08  -0.00
    28   1    -0.09  -0.14   0.03    -0.20  -0.08   0.03     0.17   0.05  -0.03
    29   1     0.00  -0.03  -0.03     0.07   0.01  -0.00    -0.04  -0.00   0.00
    30   1     0.01  -0.02   0.04     0.07   0.01  -0.02    -0.04  -0.00   0.01
    31   1    -0.07  -0.08   0.02     0.08   0.14  -0.02    -0.02  -0.05   0.01
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1415.7581              1454.4901              1480.3465
 Red. masses --      3.3086                 3.8071                 1.2123
 Frc consts  --      3.9073                 4.7453                 1.5653
 IR Inten    --      6.2735                 0.6858                 6.9812
 RamAct Fr= 1--    424.7004               236.6551                 6.2083
  Dep-P Fr= 1--      0.2007                 0.2578                 0.5286
  Dep-U Fr= 1--      0.3344                 0.4100                 0.6916
 Alpha2 Fr= 1--      5.7562                 2.7438                 0.0266
 Beta2  Fr= 1--     23.6673                16.1695                 0.7156
 AlphaG Fr= 1--      2.6589                -0.1851                 0.0164
 Gamma2 Fr= 1--      2.1236                 6.0783                -0.8722
 Delta2 Fr= 1--     -7.9647                -0.5765                 0.2516
 Raman1 Fr= 1--    1698.801                946.620                 24.833
 ROA1   Fr= 1--     -51.009                565.070                -75.676
 CID1   Fr= 1--      -0.030                  0.597                 -3.047
 Raman2 Fr= 1--     284.007                194.034                  8.588
 ROA2   Fr= 1--     114.683                150.491                -22.945
 CID2   Fr= 1--       0.404                  0.776                 -2.672
 Raman3 Fr= 1--     568.015                388.067                 17.175
 ROA3   Fr= 1--     -51.009                565.070                -75.676
 CID3   Fr= 1--      -0.090                  1.456                 -4.406
 RC180  Fr= 1--      -0.331                 -0.180                  0.383
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.21  -0.02    -0.17   0.02   0.02    -0.02  -0.00   0.00
     2   6     0.03  -0.19   0.02     0.18  -0.04  -0.02     0.01  -0.01  -0.00
     3   6     0.12   0.06  -0.02     0.14  -0.04  -0.01    -0.02  -0.01   0.00
     4   6    -0.11  -0.16   0.03     0.01   0.16  -0.02     0.03   0.01  -0.00
     5   6    -0.13   0.10   0.00    -0.15  -0.04   0.02     0.01   0.01  -0.00
     6   6     0.14   0.01  -0.02     0.16  -0.00  -0.02    -0.03  -0.00   0.00
     7   6     0.03  -0.06   0.00    -0.10   0.02   0.01    -0.01   0.03  -0.00
     8   1     0.10   0.07  -0.02    -0.45  -0.21   0.07     0.06   0.01  -0.01
     9   1     0.04  -0.08   0.01     0.00  -0.21   0.02     0.05  -0.03  -0.00
    10   1     0.06  -0.03  -0.00    -0.25  -0.14   0.04     0.08   0.03  -0.01
    11   6     0.02   0.02  -0.01     0.03  -0.05   0.00    -0.01   0.00   0.00
    12   6     0.01  -0.07  -0.04    -0.00   0.02   0.02     0.00   0.00  -0.00
    13   6    -0.01  -0.00   0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   1     0.25  -0.10   0.01    -0.28   0.13  -0.00    -0.02   0.01   0.00
    15   1    -0.17   0.30  -0.01     0.05  -0.07   0.01    -0.03  -0.01   0.02
    16   1    -0.10   0.24   0.23    -0.03  -0.04  -0.06    -0.00  -0.02  -0.02
    17   1     0.06   0.34   0.16    -0.01  -0.03  -0.08     0.00  -0.00   0.03
    18   8     0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    19   8     0.00   0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1    -0.01   0.00   0.03    -0.01   0.01   0.02    -0.00  -0.00   0.00
    21   6    -0.02  -0.03   0.00     0.13   0.03  -0.02     0.04  -0.04  -0.00
    22   6    -0.03   0.06  -0.00    -0.06  -0.16   0.02     0.01  -0.00  -0.00
    23   6     0.00   0.03  -0.00    -0.14   0.06   0.01     0.01   0.01  -0.00
    24   8     0.02  -0.01  -0.00     0.02   0.04  -0.01    -0.04  -0.01   0.01
    25   6    -0.02  -0.01   0.00     0.01  -0.02   0.00    -0.07  -0.06   0.01
    26   1    -0.36  -0.18   0.06     0.14   0.10  -0.03    -0.09   0.01   0.01
    27   1    -0.02  -0.04   0.01    -0.09   0.25  -0.02    -0.15   0.14   0.00
    28   1    -0.35  -0.08   0.05     0.30   0.22  -0.06    -0.04  -0.01   0.01
    29   1     0.07   0.01  -0.01    -0.03   0.05   0.05     0.46   0.27   0.09
    30   1     0.07   0.01  -0.01    -0.05   0.04  -0.05     0.42   0.23  -0.25
    31   1     0.02   0.06  -0.01     0.02  -0.00  -0.00     0.26   0.50  -0.08
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1496.2050              1497.7976              1506.3530
 Red. masses --      1.0465                 1.0488                 1.0590
 Frc consts  --      1.3803                 1.3863                 1.4158
 IR Inten    --      8.0745                11.0270                48.3089
 RamAct Fr= 1--     12.1174                 4.8043                18.5030
  Dep-P Fr= 1--      0.7500                 0.7451                 0.4524
  Dep-U Fr= 1--      0.8571                 0.8540                 0.6229
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.1124
 Beta2  Fr= 1--      1.7310                 0.6838                 1.9210
 AlphaG Fr= 1--      0.0001                 0.0080                -0.0001
 Gamma2 Fr= 1--     -0.1620                 1.0450                 0.3171
 Delta2 Fr= 1--     -0.0111                -0.9164                 0.0645
 Raman1 Fr= 1--      48.469                 19.217                 74.012
 ROA1   Fr= 1--     -15.911                 70.994                 32.499
 CID1   Fr= 1--      -0.328                  3.694                  0.439
 Raman2 Fr= 1--      20.773                  8.205                 23.052
 ROA2   Fr= 1--      -3.801                 32.411                  7.094
 CID2   Fr= 1--      -0.183                  3.950                  0.308
 Raman3 Fr= 1--      41.545                 16.411                 46.104
 ROA3   Fr= 1--     -15.911                 70.994                 32.499
 CID3   Fr= 1--      -0.383                  4.326                  0.705
 RC180  Fr= 1--       0.714                  0.708                  0.246
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.01  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01  -0.01   0.00
     5   6    -0.00  -0.00  -0.00     0.01  -0.01   0.00    -0.00   0.01  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.01  -0.01   0.00
     7   6     0.00  -0.00   0.00    -0.01  -0.00   0.00     0.01  -0.00  -0.00
     8   1    -0.00  -0.00   0.00    -0.01  -0.00   0.01     0.02   0.01  -0.00
     9   1    -0.00   0.00   0.00    -0.03   0.02   0.00     0.03  -0.02  -0.00
    10   1    -0.00  -0.00   0.00    -0.03  -0.00   0.00     0.04   0.01  -0.01
    11   6    -0.00  -0.00   0.00    -0.02   0.00   0.01    -0.00   0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.03  -0.03   0.03    -0.00  -0.00  -0.00
    13   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00  -0.00     0.04  -0.07  -0.02     0.00  -0.00   0.00
    15   1     0.00   0.00  -0.00     0.55   0.25  -0.33     0.01   0.02  -0.01
    16   1     0.00   0.00   0.00     0.06   0.30   0.38     0.02   0.01   0.02
    17   1    -0.00  -0.00  -0.00    -0.08  -0.13  -0.49    -0.00  -0.01  -0.00
    18   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.00  -0.01   0.00    -0.00  -0.00   0.00
    21   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6    -0.00   0.00  -0.00     0.01  -0.00  -0.00    -0.02   0.01   0.00
    23   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
    24   8    -0.00  -0.00  -0.01    -0.00  -0.00   0.00     0.02  -0.01  -0.00
    25   6    -0.01  -0.01  -0.06    -0.00  -0.00   0.00     0.03  -0.04   0.00
    26   1     0.00   0.00   0.00     0.02   0.01  -0.00    -0.01  -0.01   0.00
    27   1    -0.00  -0.00  -0.02     0.01  -0.01  -0.00     0.01  -0.01   0.00
    28   1    -0.00  -0.00  -0.00     0.01   0.00  -0.00    -0.03  -0.01   0.01
    29   1    -0.47   0.10   0.12     0.03   0.01  -0.00    -0.14   0.53   0.34
    30   1     0.48  -0.08   0.02     0.03   0.01  -0.01    -0.23   0.46  -0.40
    31   1     0.08   0.07   0.71     0.02   0.04  -0.01    -0.17  -0.35   0.05
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1510.1466              1525.0152              1545.9510
 Red. masses --      1.0532                 2.4713                 3.3862
 Frc consts  --      1.4152                 3.3863                 4.7682
 IR Inten    --      8.7097                19.5819                81.9530
 RamAct Fr= 1--      8.8258               125.0538                24.0952
  Dep-P Fr= 1--      0.4496                 0.2637                 0.1765
  Dep-U Fr= 1--      0.6203                 0.4173                 0.3001
 Alpha2 Fr= 1--      0.0542                 1.4261                 0.3480
 Beta2  Fr= 1--      0.9124                 8.6973                 1.2050
 AlphaG Fr= 1--      0.1811                 0.2071                 0.4153
 Gamma2 Fr= 1--      1.0206                 2.0810                 2.6616
 Delta2 Fr= 1--      1.6735                -0.1710                -0.4162
 Raman1 Fr= 1--      35.303                500.215                 96.381
 ROA1   Fr= 1--     151.527                194.305                242.194
 CID1   Fr= 1--       4.292                  0.388                  2.513
 Raman2 Fr= 1--      10.949                104.368                 14.460
 ROA2   Fr= 1--      11.106                 51.312                 67.208
 CID2   Fr= 1--       1.014                  0.492                  4.648
 Raman3 Fr= 1--      21.899                208.735                 28.921
 ROA3   Fr= 1--     151.527                194.305                242.194
 CID3   Fr= 1--       6.919                  0.931                  8.374
 RC180  Fr= 1--       0.241                 -0.165                 -0.400
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.06  -0.01   0.01    -0.15  -0.04   0.02
     2   6     0.01  -0.00  -0.00     0.14   0.03  -0.02    -0.11  -0.05   0.02
     3   6    -0.00  -0.00  -0.00    -0.08  -0.03   0.01     0.02  -0.07   0.00
     4   6     0.01   0.01   0.00     0.13  -0.05  -0.01     0.02   0.16  -0.02
     5   6    -0.00  -0.00   0.00    -0.06   0.12  -0.01     0.04  -0.12   0.01
     6   6    -0.00  -0.00  -0.00    -0.13  -0.09   0.02     0.07   0.08  -0.02
     7   6    -0.00  -0.00   0.00     0.06   0.04  -0.01     0.16   0.11  -0.03
     8   1    -0.05  -0.02   0.01     0.27   0.06  -0.04    -0.07  -0.11   0.02
     9   1     0.01  -0.01   0.00     0.39  -0.29  -0.01    -0.20   0.10   0.01
    10   1     0.00  -0.00  -0.00     0.45   0.07  -0.06    -0.25  -0.01   0.03
    11   6    -0.02  -0.00  -0.02    -0.04   0.01   0.01     0.00  -0.03   0.00
    12   6    -0.03   0.01  -0.04    -0.00  -0.00   0.00     0.00   0.00   0.00
    13   6    -0.00  -0.00   0.01     0.00  -0.00  -0.01    -0.00   0.00   0.00
    14   1     0.02   0.02   0.02     0.01  -0.02  -0.00    -0.13   0.05  -0.01
    15   1    -0.09   0.37  -0.07     0.07   0.01  -0.04     0.02   0.03  -0.01
    16   1     0.64  -0.05   0.21    -0.02   0.03   0.03     0.02   0.01   0.02
    17   1     0.00  -0.42   0.46    -0.01  -0.02  -0.08    -0.00  -0.03  -0.01
    18   8     0.01   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.01    -0.01  -0.01   0.01    -0.00   0.01   0.01
    21   6     0.00   0.01  -0.00     0.05  -0.05  -0.00     0.04  -0.16   0.01
    22   6    -0.00  -0.01   0.00    -0.14  -0.02   0.02    -0.09   0.17  -0.01
    23   6    -0.00   0.00  -0.00     0.02   0.05  -0.01     0.10  -0.03  -0.01
    24   8    -0.00   0.00  -0.00     0.04   0.01  -0.01     0.03  -0.02  -0.00
    25   6    -0.00   0.00  -0.00     0.02   0.02  -0.00     0.01   0.02  -0.00
    26   1     0.01   0.00  -0.00    -0.23  -0.04   0.03    -0.50  -0.08   0.07
    27   1     0.01   0.00  -0.00    -0.26   0.23   0.01    -0.40   0.22   0.02
    28   1     0.00   0.01  -0.00    -0.12   0.02   0.01    -0.29  -0.15   0.05
    29   1     0.00  -0.01  -0.01    -0.13  -0.18  -0.09    -0.09  -0.07  -0.03
    30   1     0.00  -0.01   0.01    -0.10  -0.16   0.15    -0.08  -0.06   0.07
    31   1     0.00   0.01  -0.00    -0.05  -0.11   0.02    -0.07  -0.13   0.02
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1609.0419              1653.7307              1676.1153
 Red. masses --      6.7411                 5.6835                 6.2586
 Frc consts  --     10.2828                 9.1579                10.3595
 IR Inten    --      9.3939               114.6948                58.0548
 RamAct Fr= 1--     67.5447                 3.8477               266.7189
  Dep-P Fr= 1--      0.4948                 0.3782                 0.3813
  Dep-U Fr= 1--      0.6621                 0.5489                 0.5521
 Alpha2 Fr= 1--      0.3416                 0.0308                 2.1091
 Beta2  Fr= 1--      7.4532                 0.3520                24.5444
 AlphaG Fr= 1--      0.5174                -0.0508                 1.0583
 Gamma2 Fr= 1--     -1.3644                -1.6249                 6.3135
 Delta2 Fr= 1--     -3.7693                -3.3781                -0.5243
 Raman1 Fr= 1--     270.179                 15.391               1066.876
 ROA1   Fr= 1--    -251.597               -264.090                589.322
 CID1   Fr= 1--      -0.931                -17.159                  0.552
 Raman2 Fr= 1--      89.439                  4.224                294.532
 ROA2   Fr= 1--      -2.590                -11.973                155.720
 CID2   Fr= 1--      -0.029                 -2.835                  0.529
 Raman3 Fr= 1--     178.878                  8.447                589.065
 ROA3   Fr= 1--    -251.597               -264.090                589.322
 CID3   Fr= 1--      -1.407                -31.263                  1.000
 RC180  Fr= 1--       0.324                  0.098                  0.104
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.28  -0.03    -0.01   0.03  -0.00     0.25   0.06  -0.04
     2   6     0.07  -0.27   0.02    -0.03  -0.01   0.00    -0.25  -0.05   0.03
     3   6    -0.13  -0.16   0.03     0.20   0.09  -0.03    -0.22  -0.08   0.04
     4   6     0.08   0.21  -0.03    -0.20  -0.08   0.03     0.15   0.07  -0.03
     5   6     0.15  -0.15  -0.00     0.23  -0.08  -0.02    -0.17   0.05   0.01
     6   6    -0.14   0.09   0.01    -0.22   0.02   0.02     0.23   0.02  -0.03
     7   6     0.13  -0.11  -0.00    -0.21  -0.01   0.03    -0.24  -0.04   0.03
     8   1     0.37  -0.02  -0.04    -0.31  -0.04   0.04     0.34   0.07  -0.05
     9   1    -0.14   0.15  -0.00    -0.18   0.33  -0.02     0.10  -0.21   0.01
    10   1     0.15   0.19  -0.04     0.17   0.15  -0.04    -0.26  -0.13   0.05
    11   6    -0.01  -0.02   0.00     0.03   0.01  -0.01    -0.01  -0.01   0.01
    12   6     0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.00    -0.01  -0.00   0.01     0.01   0.00  -0.00
    14   1    -0.14   0.05  -0.01     0.09  -0.02   0.01    -0.08   0.02  -0.01
    15   1     0.01   0.00   0.00    -0.02  -0.00   0.00     0.01  -0.00  -0.00
    16   1    -0.04   0.02   0.00     0.01  -0.01  -0.00    -0.02   0.01  -0.00
    17   1     0.00   0.00  -0.04     0.00   0.03   0.03    -0.00  -0.01  -0.02
    18   8    -0.00  -0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   1    -0.00  -0.00   0.01     0.01   0.00  -0.02    -0.01  -0.01   0.03
    21   6    -0.19   0.19   0.00     0.20  -0.04  -0.02     0.16  -0.03  -0.02
    22   6    -0.02  -0.24   0.03    -0.21  -0.12   0.04    -0.14  -0.08   0.03
    23   6     0.06   0.16  -0.02     0.22   0.11  -0.04     0.22   0.08  -0.04
    24   8    -0.01   0.02  -0.00     0.02   0.02  -0.00     0.00   0.01  -0.00
    25   6     0.01  -0.01   0.00     0.02   0.00  -0.00     0.02   0.00  -0.00
    26   1    -0.10  -0.19   0.03     0.19   0.12  -0.04     0.29   0.12  -0.05
    27   1     0.25  -0.22  -0.01    -0.14   0.28  -0.01    -0.06   0.18  -0.01
    28   1    -0.21   0.08   0.02    -0.31  -0.04   0.04    -0.29  -0.08   0.04
    29   1    -0.00   0.01   0.01    -0.07  -0.06  -0.02    -0.05  -0.04  -0.02
    30   1    -0.01   0.01  -0.02    -0.06  -0.05   0.05    -0.04  -0.03   0.04
    31   1     0.03   0.03  -0.01     0.00  -0.03   0.00     0.01  -0.02   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1834.3318              3010.9878              3045.5518
 Red. masses --     10.0647                 1.0347                 1.0362
 Frc consts  --     19.9530                 5.5267                 5.6625
 IR Inten    --    486.0353                64.9745                12.5647
 RamAct Fr= 1--     13.4732               234.7752               190.4499
  Dep-P Fr= 1--      0.3298                 0.0350                 0.0169
  Dep-U Fr= 1--      0.4960                 0.0677                 0.0333
 Alpha2 Fr= 1--      0.1261                 4.8052                 4.0680
 Beta2  Fr= 1--      1.1138                 2.6485                 1.0555
 AlphaG Fr= 1--      0.2510                 0.4815                 0.2582
 Gamma2 Fr= 1--      1.2394                 1.4563                 1.5572
 Delta2 Fr= 1--      0.4219                -0.9496                 0.8728
 Raman1 Fr= 1--      53.893                939.101                761.799
 ROA1   Fr= 1--     132.484                109.418                177.426
 CID1   Fr= 1--       2.458                  0.117                  0.233
 Raman2 Fr= 1--      13.366                 31.782                 12.666
 ROA2   Fr= 1--      26.371                 42.548                 30.391
 CID2   Fr= 1--       1.973                  1.339                  2.399
 Raman3 Fr= 1--      26.732                 63.563                 25.332
 ROA3   Fr= 1--     132.484                109.418                177.426
 CID3   Fr= 1--       4.956                  1.721                  7.004
 RC180  Fr= 1--      -0.008                 -0.865                 -0.933
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6     0.01   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.02  -0.01  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.01  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   1    -0.01  -0.00  -0.01    -0.00   0.00  -0.00     0.01  -0.02   0.00
     9   1    -0.00   0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   1     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.04  -0.01  -0.02     0.00   0.00  -0.00     0.00   0.01  -0.01
    12   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.05  -0.01
    13   6     0.71   0.16   0.06    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1     0.14   0.05   0.12    -0.00  -0.00   0.00    -0.05  -0.08   0.08
    15   1    -0.06   0.06   0.01     0.00   0.00   0.00     0.25   0.10   0.51
    16   1     0.00   0.00   0.02     0.00   0.00  -0.00     0.20   0.46  -0.45
    17   1     0.02   0.03   0.05    -0.00   0.00   0.00    -0.44   0.02   0.05
    18   8    -0.45  -0.10  -0.03     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8    -0.05  -0.01  -0.03    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.09  -0.02   0.44     0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   8     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    25   6    -0.00  -0.00   0.00     0.01   0.05  -0.01    -0.00  -0.00   0.00
    26   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1    -0.00   0.00   0.00     0.02   0.02  -0.00    -0.00  -0.00   0.00
    28   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    29   1     0.00   0.00   0.00     0.11  -0.31   0.59    -0.00   0.00  -0.00
    30   1    -0.00   0.00  -0.00    -0.02  -0.43  -0.52     0.00   0.00   0.00
    31   1    -0.00  -0.00   0.00    -0.25   0.15   0.01     0.00  -0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3064.0151              3068.1186              3109.2535
 Red. masses --      1.0830                 1.1060                 1.1017
 Frc consts  --      5.9906                 6.1341                 6.2749
 IR Inten    --      5.6360                34.3698                18.9957
 RamAct Fr= 1--     82.3978                70.4127                50.6801
  Dep-P Fr= 1--      0.3197                 0.7498                 0.3574
  Dep-U Fr= 1--      0.4845                 0.8570                 0.5266
 Alpha2 Fr= 1--      0.7961                 0.0002                 0.4343
 Beta2  Fr= 1--      6.6534                10.0576                 4.4481
 AlphaG Fr= 1--      1.6289                 0.0530                -1.4702
 Gamma2 Fr= 1--     -3.2161                 2.5250                 2.5239
 Delta2 Fr= 1--      1.2268                 2.4273                -0.0102
 Raman1 Fr= 1--     329.591                281.651                202.721
 ROA1   Fr= 1--    -269.491                320.077                241.962
 CID1   Fr= 1--      -0.818                  1.136                  1.194
 Raman2 Fr= 1--      79.841                120.692                 53.378
 ROA2   Fr= 1--     -87.001                 41.182                 60.654
 CID2   Fr= 1--      -1.090                  0.341                  1.136
 Raman3 Fr= 1--     159.682                241.384                106.755
 ROA3   Fr= 1--    -269.491                320.077                241.962
 CID3   Fr= 1--      -1.688                  1.326                  2.267
 RC180  Fr= 1--      -0.031                  0.714                  0.053
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.01   0.04  -0.00
     9   1     0.02   0.01  -0.00    -0.00  -0.00  -0.00     0.01   0.01  -0.00
    10   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.03   0.05  -0.05    -0.00  -0.00   0.00     0.01   0.01  -0.01
    12   6    -0.01   0.00   0.02     0.00  -0.00   0.00     0.01   0.03  -0.09
    13   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.39  -0.63   0.63     0.00   0.00  -0.00    -0.08  -0.13   0.12
    15   1    -0.08  -0.03  -0.15     0.00   0.00   0.00     0.30   0.13   0.56
    16   1     0.02   0.04  -0.04     0.00   0.00  -0.00    -0.21  -0.49   0.46
    17   1     0.14  -0.01  -0.01    -0.00   0.00   0.00    -0.19   0.02   0.00
    18   8    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    19   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    21   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    22   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    23   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    24   8     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    25   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.09     0.00  -0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    27   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    28   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    29   1    -0.00   0.00  -0.00     0.13  -0.35   0.60     0.00   0.00  -0.00
    30   1     0.00   0.00   0.00     0.01   0.47   0.53     0.00   0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.02    -0.00   0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3127.1829              3137.9212              3164.5384
 Red. masses --      1.1022                 1.0990                 1.0866
 Frc consts  --      6.3505                 6.3758                 6.4109
 IR Inten    --     14.9032                22.8755                 3.1473
 RamAct Fr= 1--    127.0564               188.6260                73.4499
  Dep-P Fr= 1--      0.5472                 0.4278                 0.6208
  Dep-U Fr= 1--      0.7073                 0.5992                 0.7660
 Alpha2 Fr= 1--      0.4936                 1.2614                 0.1735
 Beta2  Fr= 1--     14.9780                18.8374                 9.3777
 AlphaG Fr= 1--      0.4121                -0.1943                -0.0100
 Gamma2 Fr= 1--     -5.4514                -1.0883                -0.1587
 Delta2 Fr= 1--      5.0022                -0.9708                 1.8547
 Raman1 Fr= 1--     508.226                754.504                293.799
 ROA1   Fr= 1--    -363.262               -135.546                 44.116
 CID1   Fr= 1--      -0.715                 -0.180                  0.150
 Raman2 Fr= 1--     179.736                226.049                112.533
 ROA2   Fr= 1--    -170.852                -18.354                -18.647
 CID2   Fr= 1--      -0.951                 -0.081                 -0.166
 Raman3 Fr= 1--     359.472                452.098                225.065
 ROA3   Fr= 1--    -363.262               -135.546                 44.116
 CID3   Fr= 1--      -1.011                 -0.300                  0.196
 RC180  Fr= 1--       0.415                  0.198                  0.532
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.05  -0.05   0.01
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.05  -0.00
     7   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.01  -0.02   0.00     0.00  -0.00   0.00     0.01  -0.02   0.00
     9   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.55   0.58  -0.13
    10   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.16  -0.55   0.04
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.09  -0.01  -0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    14   1     0.02   0.03  -0.03    -0.00  -0.00   0.00     0.01   0.01  -0.01
    15   1     0.19   0.08   0.41    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1     0.04   0.12  -0.12    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1     0.86  -0.06  -0.10    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    19   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    21   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.00   0.00  -0.00    -0.07   0.06   0.00    -0.00   0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00   0.00  -0.00
    27   1     0.00   0.00  -0.00     0.02   0.02  -0.00     0.00   0.00  -0.00
    28   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.03  -0.00
    29   1     0.00  -0.00   0.00     0.02  -0.08   0.17     0.00  -0.00   0.00
    30   1    -0.00  -0.00  -0.00    -0.02  -0.11  -0.15    -0.00  -0.00  -0.00
    31   1     0.00  -0.00  -0.00     0.83  -0.48  -0.05     0.00  -0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3171.0395              3178.0131              3182.4575
 Red. masses --      1.0892                 1.0888                 1.0946
 Frc consts  --      6.4529                 6.4790                 6.5319
 IR Inten    --      3.9443                11.7276                 9.2907
 RamAct Fr= 1--     38.8399                65.4536               143.5315
  Dep-P Fr= 1--      0.4649                 0.3790                 0.1830
  Dep-U Fr= 1--      0.6348                 0.5497                 0.3093
 Alpha2 Fr= 1--      0.2239                 0.5217                 2.0386
 Beta2  Fr= 1--      4.1090                 5.9968                 7.3993
 AlphaG Fr= 1--      0.0613                 0.1146                -0.0091
 Gamma2 Fr= 1--      0.1717                 0.9548                -0.9569
 Delta2 Fr= 1--     -0.7192                 1.5228                -1.0638
 Raman1 Fr= 1--     155.360                261.815                574.126
 ROA1   Fr= 1--      -6.526                140.390               -125.900
 CID1   Fr= 1--      -0.042                  0.536                 -0.219
 Raman2 Fr= 1--      49.308                 71.962                 88.792
 ROA2   Fr= 1--       9.875                 10.733                -14.455
 CID2   Fr= 1--       0.200                  0.149                 -0.163
 Raman3 Fr= 1--      98.616                143.923                177.584
 ROA3   Fr= 1--      -6.526                140.390               -125.900
 CID3   Fr= 1--      -0.066                  0.975                 -0.709
 RC180  Fr= 1--       0.270                  0.099                 -0.381
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.01   0.02  -0.00     0.02  -0.08   0.00    -0.00   0.01  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.04  -0.03   0.01
     6   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.02  -0.07   0.00
     7   6     0.02  -0.08   0.01     0.01  -0.02   0.00    -0.00   0.00  -0.00
     8   1     0.07  -0.24   0.01    -0.27   0.91  -0.05     0.04  -0.14   0.01
     9   1    -0.01  -0.01   0.00     0.07   0.08  -0.02     0.38   0.40  -0.09
    10   1     0.00  -0.01   0.00    -0.03   0.10  -0.01    -0.23   0.75  -0.05
    11   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01   0.01  -0.01
    15   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    16   1    -0.00  -0.01   0.01     0.02   0.04  -0.03    -0.00  -0.00   0.00
    17   1    -0.01   0.00   0.00     0.02  -0.00  -0.00    -0.00  -0.00  -0.00
    18   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    19   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6     0.01   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    23   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.02  -0.00
    24   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    26   1    -0.27   0.91  -0.06    -0.07   0.23  -0.02     0.00  -0.01   0.00
    27   1    -0.11  -0.13   0.03    -0.03  -0.04   0.01     0.00   0.01  -0.00
    28   1    -0.01   0.04  -0.00    -0.00   0.01  -0.00     0.06  -0.20   0.01
    29   1     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3188.9464              3216.3957              3679.3945
 Red. masses --      1.0905                 1.0911                 1.0651
 Frc consts  --      6.5337                 6.6508                 8.4957
 IR Inten    --      5.6399                 6.5028               204.1033
 RamAct Fr= 1--    163.2784               137.0993               157.2392
  Dep-P Fr= 1--      0.2393                 0.2426                 0.2770
  Dep-U Fr= 1--      0.3861                 0.3905                 0.4338
 Alpha2 Fr= 1--      1.9939                 1.6587                 1.7256
 Beta2  Fr= 1--     10.5078                 8.9223                11.3696
 AlphaG Fr= 1--     -0.2336                 0.1395                 3.0059
 Gamma2 Fr= 1--     -2.7461                 1.5678                33.9088
 Delta2 Fr= 1--     -0.9018                 0.6405                 4.7412
 Raman1 Fr= 1--     653.113                548.397                628.957
 ROA1   Fr= 1--    -292.486                171.008               3406.963
 CID1   Fr= 1--      -0.448                  0.312                  5.417
 Raman2 Fr= 1--     126.093                107.068                136.435
 ROA2   Fr= 1--     -58.692                 32.504                775.882
 CID2   Fr= 1--      -0.465                  0.304                  5.687
 Raman3 Fr= 1--     252.187                214.135                272.870
 ROA3   Fr= 1--    -292.486                171.008               3406.963
 CID3   Fr= 1--      -1.160                  0.799                 12.486
 RC180  Fr= 1--      -0.228                 -0.219                 -0.132
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.01  -0.02   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.01  -0.02   0.00     0.00  -0.00  -0.00
     8   1     0.01  -0.03   0.00    -0.00   0.01  -0.00     0.00   0.00  -0.00
     9   1     0.06   0.06  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   1    -0.05   0.18  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    14   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.01  -0.01
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.96   0.15   0.21
    21   6    -0.00   0.00   0.00    -0.06  -0.06   0.01    -0.00   0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    23   6     0.03  -0.08   0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.01  -0.05   0.00    -0.05   0.17  -0.01    -0.00   0.00  -0.00
    27   1     0.00   0.00  -0.00     0.65   0.71  -0.15     0.00   0.00  -0.00
    28   1    -0.30   0.92  -0.06    -0.00   0.01  -0.00     0.00  -0.00   0.00
    29   1     0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.00   0.00  -0.00
    30   1     0.00   0.00   0.00    -0.00   0.01   0.02     0.00   0.00   0.00
    31   1     0.00  -0.00   0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1250.191378874.316409286.09398
           X            0.99994  -0.00027  -0.01089
           Y            0.00030   1.00000   0.00290
           Z            0.01089  -0.00290   0.99994
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06928     0.00976     0.00933
 Rotational constants (GHZ):           1.44357     0.20337     0.19435
 Zero-point vibrational energy     658483.7 (Joules/Mol)
                                  157.38137 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     33.13    56.45    66.43   107.94   181.84
          (Kelvin)            194.72   262.73   310.98   323.34   347.92
                              374.47   400.62   446.60   498.02   561.55
                              600.18   633.28   656.26   697.45   770.78
                              814.49   823.69   861.97   894.91   926.70
                              994.26  1029.80  1080.56  1107.52  1128.65
                             1170.69  1180.90  1204.33  1229.81  1293.18
                             1320.89  1350.34  1367.35  1403.86  1409.20
                             1457.78  1539.00  1550.13  1570.33  1676.10
                             1687.05  1699.87  1709.17  1720.98  1725.80
                             1735.65  1816.64  1867.03  1875.83  1881.66
                             1911.17  1934.96  1992.57  2020.88  2032.65
                             2036.96  2092.69  2129.89  2152.71  2155.00
                             2167.31  2172.76  2194.16  2224.28  2315.05
                             2379.35  2411.56  2639.19  4332.14  4381.87
                             4408.43  4414.34  4473.52  4499.32  4514.77
                             4553.06  4562.42  4572.45  4578.85  4588.18
                             4627.68  5293.83
 
 Zero-point correction=                           0.250803 (Hartree/Particle)
 Thermal correction to Energy=                    0.266010
 Thermal correction to Enthalpy=                  0.266954
 Thermal correction to Gibbs Free Energy=         0.206996
 Sum of electronic and zero-point Energies=           -767.719224
 Sum of electronic and thermal Energies=              -767.704017
 Sum of electronic and thermal Enthalpies=            -767.703073
 Sum of electronic and thermal Free Energies=         -767.763031
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.924             58.559            126.192
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             32.999
 Vibrational            165.147             52.597             50.992
 Vibration     1          0.593              1.985              6.355
 Vibration     2          0.594              1.981              5.297
 Vibration     3          0.595              1.979              4.975
 Vibration     4          0.599              1.966              4.017
 Vibration     5          0.611              1.927              3.000
 Vibration     6          0.613              1.918              2.869
 Vibration     7          0.630              1.863              2.302
 Vibration     8          0.645              1.816              1.991
 Vibration     9          0.649              1.803              1.921
 Vibration    10          0.658              1.776              1.789
 Vibration    11          0.668              1.745              1.660
 Vibration    12          0.679              1.713              1.543
 Vibration    13          0.699              1.654              1.360
 Vibration    14          0.724              1.583              1.184
 Vibration    15          0.758              1.491              0.999
 Vibration    16          0.780              1.433              0.902
 Vibration    17          0.800              1.383              0.826
 Vibration    18          0.814              1.347              0.777
 Vibration    19          0.841              1.284              0.697
 Vibration    20          0.891              1.171              0.575
 Vibration    21          0.922              1.105              0.512
 Vibration    22          0.929              1.091              0.499
 Vibration    23          0.957              1.034              0.451
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.614271D-95        -95.211640       -219.232902
 Total V=0       0.141161D+21         20.149713         46.396429
 Vib (Bot)       0.123234-109       -109.909270       -253.075447
 Vib (Bot)    1  0.899538D+01          0.954020          2.196712
 Vib (Bot)    2  0.527403D+01          0.722142          1.662794
 Vib (Bot)    3  0.447897D+01          0.651178          1.499392
 Vib (Bot)    4  0.274721D+01          0.438892          1.010586
 Vib (Bot)    5  0.161450D+01          0.208037          0.479023
 Vib (Bot)    6  0.150429D+01          0.177332          0.408322
 Vib (Bot)    7  0.109894D+01          0.040972          0.094342
 Vib (Bot)    8  0.916617D+00         -0.037812         -0.087065
 Vib (Bot)    9  0.878418D+00         -0.056299         -0.129632
 Vib (Bot)   10  0.810202D+00         -0.091407         -0.210472
 Vib (Bot)   11  0.746164D+00         -0.127165         -0.292809
 Vib (Bot)   12  0.691047D+00         -0.160492         -0.369548
 Vib (Bot)   13  0.609046D+00         -0.215350         -0.495861
 Vib (Bot)   14  0.534342D+00         -0.272181         -0.626720
 Vib (Bot)   15  0.459887D+00         -0.337348         -0.776773
 Vib (Bot)   16  0.421847D+00         -0.374845         -0.863112
 Vib (Bot)   17  0.392706D+00         -0.405933         -0.934695
 Vib (Bot)   18  0.374093D+00         -0.427021         -0.983252
 Vib (Bot)   19  0.343606D+00         -0.463939         -1.068259
 Vib (Bot)   20  0.296941D+00         -0.527330         -1.214222
 Vib (Bot)   21  0.272916D+00         -0.563971         -1.298592
 Vib (Bot)   22  0.268171D+00         -0.571588         -1.316131
 Vib (Bot)   23  0.249472D+00         -0.602978         -1.388407
 Vib (V=0)       0.283193D+06          5.452083         12.553884
 Vib (V=0)    1  0.950927D+01          0.978147          2.252267
 Vib (V=0)    2  0.579768D+01          0.763254          1.757457
 Vib (V=0)    3  0.500679D+01          0.699559          1.610795
 Vib (V=0)    4  0.329234D+01          0.517505          1.191599
 Vib (V=0)    5  0.219015D+01          0.340473          0.783969
 Vib (V=0)    6  0.208521D+01          0.319150          0.734870
 Vib (V=0)    7  0.170734D+01          0.232319          0.534934
 Vib (V=0)    8  0.154412D+01          0.188681          0.434454
 Vib (V=0)    9  0.151075D+01          0.179193          0.412607
 Vib (V=0)   10  0.145206D+01          0.161986          0.372986
 Vib (V=0)   11  0.139820D+01          0.145569          0.335185
 Vib (V=0)   12  0.135296D+01          0.131286          0.302297
 Vib (V=0)   13  0.128800D+01          0.109914          0.253087
 Vib (V=0)   14  0.123179D+01          0.090538          0.208471
 Vib (V=0)   15  0.117934D+01          0.071637          0.164951
 Vib (V=0)   16  0.115418D+01          0.062275          0.143393
 Vib (V=0)   17  0.113578D+01          0.055295          0.127321
 Vib (V=0)   18  0.112446D+01          0.050942          0.117299
 Vib (V=0)   19  0.110668D+01          0.044024          0.101368
 Vib (V=0)   20  0.108153D+01          0.034037          0.078374
 Vib (V=0)   21  0.106963D+01          0.029235          0.067317
 Vib (V=0)   22  0.106738D+01          0.028317          0.065203
 Vib (V=0)   23  0.105878D+01          0.024806          0.057118
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.363344D+07          6.560318         15.105690
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3          333333333333 3                              111111111111111111111111111111111                                        
     6          211111111000 0                              866655554444444333332221111110000999998888877776665555444433322222111    
     7          188776320664 1                              3750421099851108420096099887697717753195321875194297638541941764218327432
     9          692815879846 1                              4649650686046355588483696813517039609895714401614292665607060802563565693
 
     X          XXXXXXXXXXXX X                              XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXX
     X                       X                              XXX X  X         XX  X   XX    X                  X                      
     X                       X                              X X X            XX  X   X                                               
     X                                                      X X              XX  X                                                   
     X                                                      X X              XX                                                      
     X                                                      X                XX                                                      
     X                                                      X                XX                                                      
     X                                                      X                XX                                                      
                                                            X                XX                                                      
                                                            X                XX                                                      
                                                            X                X                                                       
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000003989    0.000000933    0.000000255
      2        6          -0.000000638   -0.000003676   -0.000000822
      3        6           0.000002610    0.000002077    0.000002020
      4        6           0.000002542   -0.000000633    0.000001022
      5        6          -0.000001957    0.000002452    0.000000269
      6        6           0.000002914    0.000001914   -0.000000990
      7        6           0.000002722   -0.000000080    0.000000028
      8        1          -0.000003078   -0.000000525   -0.000000544
      9        1           0.000001014   -0.000002837   -0.000001342
     10        1          -0.000001199   -0.000000977   -0.000002388
     11        6          -0.000005195   -0.000007918    0.000003084
     12        6           0.000002077   -0.000005763   -0.000004593
     13        6          -0.000000020    0.000006701    0.000006038
     14        1           0.000002953   -0.000000183    0.000002162
     15        1           0.000000336   -0.000000440    0.000003193
     16        1           0.000000715    0.000000715    0.000000900
     17        1           0.000000735   -0.000002420    0.000001127
     18        8           0.000001437   -0.000000889   -0.000002398
     19        8          -0.000001258   -0.000003545   -0.000011200
     20        1           0.000000343    0.000003619    0.000001786
     21        6          -0.000002548    0.000006966    0.000000459
     22        6          -0.000004130   -0.000007543    0.000001107
     23        6           0.000004440    0.000004096   -0.000001286
     24        8           0.000001019    0.000002648   -0.000000970
     25        6           0.000002715    0.000001410    0.000000115
     26        1          -0.000001586    0.000000963    0.000001348
     27        1          -0.000002940   -0.000000216    0.000001671
     28        1           0.000000138   -0.000000059   -0.000001050
     29        1           0.000000179    0.000001560    0.000000512
     30        1           0.000000060    0.000000515    0.000000474
     31        1          -0.000000412    0.000001134    0.000000011
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000011200 RMS     0.000002860
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.304248D+03  0.133766D+02 -0.155064D+02
      2   0.133766D+02  0.174420D+03 -0.523578D+01
      3  -0.155064D+02 -0.523578D+01  0.120783D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.958848D+01 -0.293313D+02  0.124521D+02
      2   0.769558D+02  0.160033D+02  0.109091D+02
      3   0.410332D+02  0.554379D+02 -0.201625D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.325055D+03 -0.398868D+02  0.878700D+02
      2   0.154720D+03  0.198512D+02 -0.426622D+02
      3   0.170336D+03  0.200356D+02 -0.452079D+02
      4  -0.531136D+02 -0.116364D+03  0.387139D+02
      5   0.173441D+02  0.426551D+02  0.303886D+02
      6   0.115728D+02 -0.706501D+02 -0.346012D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.393485D+02  0.832202D+01 -0.382311D+01 -0.452416D+02 -0.617496D+01
      2   0.832202D+01  0.494175D+01 -0.169486D+01 -0.617496D+01 -0.580758D+01
      3  -0.382311D+01 -0.169486D+01  0.173887D+00  0.512032D+01  0.105546D+01
                 6             7             8             9            10 
      1   0.512032D+01  0.110507D+01 -0.302844D+00  0.114668D+01 -0.320607D+02
      2   0.105546D+01 -0.302844D+00 -0.126794D+00 -0.931958D+00 -0.649782D+01
      3  -0.271515D+00  0.114668D+01 -0.931958D+00  0.151640D+00  0.297582D+01
                11            12            13            14            15 
      1  -0.649782D+01  0.297582D+01  0.499193D+02  0.748416D+01 -0.575779D+01
      2  -0.860540D+00  0.437762D+00  0.748416D+01  0.768497D+01 -0.177667D+01
      3   0.437762D+00 -0.128985D+00 -0.575779D+01 -0.177667D+01  0.202317D+00
                16            17            18            19            20 
      1  -0.137125D+01  0.857793D-01 -0.380780D+00 -0.452012D+02 -0.965678D+01
      2   0.857793D-01 -0.448736D+00  0.112001D+01 -0.965678D+01 -0.968636D+01
      3  -0.380780D+00  0.112001D+01 -0.298043D+00  0.389840D+01  0.166694D+01
                21            22            23            24            25 
      1   0.389840D+01 -0.167007D+02 -0.209607D+01  0.265499D+00  0.735842D+01
      2   0.166694D+01 -0.209607D+01 -0.567657D+01  0.561009D+00  0.269061D+00
      3  -0.572091D+00  0.265499D+00  0.561009D+00 -0.212657D+01  0.258864D+00
                26            27            28            29            30 
      1   0.269061D+00  0.258864D+00  0.471735D+02  0.499700D+01 -0.111455D+01
      2   0.102215D+01 -0.365705D+01  0.499700D+01  0.439855D+01 -0.625102D+00
      3  -0.365705D+01  0.569076D+00 -0.111455D+01 -0.625102D+00  0.214337D+01
                31            32            33            34            35 
      1   0.801488D+01  0.230105D+01 -0.273304D+00 -0.484836D+01 -0.199825D+00
      2   0.230105D+01  0.159279D+02 -0.279743D+01 -0.199825D+00 -0.278232D+01
      3  -0.273304D+00 -0.279743D+01  0.336939D+00  0.573920D+01  0.121122D+01
                36            37            38            39            40 
      1   0.573920D+01  0.942726D+01 -0.165041D+01 -0.168005D+00  0.534374D+01
      2   0.121122D+01 -0.165041D+01  0.127363D+02 -0.128807D+01  0.117851D+01
      3  -0.142272D+01 -0.168005D+00 -0.128807D+01  0.267529D+01  0.533228D+00
                41            42            43            44            45 
      1   0.117851D+01  0.533228D+00 -0.670394D+00  0.108519D+01  0.461317D+01
      2  -0.905794D+01  0.162935D+01  0.108519D+01 -0.307314D+00  0.197797D+01
      3   0.162935D+01  0.603140D+00  0.461317D+01  0.197797D+01 -0.240091D+01
                46            47            48            49            50 
      1  -0.153033D+02  0.139766D+01  0.163292D+01  0.262450D+00  0.231676D+01
      2   0.139766D+01 -0.920972D+01  0.195435D+01  0.231676D+01  0.144124D+00
      3   0.163292D+01  0.195435D+01 -0.252427D+01 -0.901879D-01  0.467096D+00
                51            52            53            54            55 
      1  -0.901879D-01  0.168686D+01  0.523037D-01 -0.146535D+01  0.513067D+01
      2   0.467096D+00  0.523037D-01  0.203267D+01  0.405982D+01 -0.276276D+01
      3   0.185422D+01 -0.146535D+01  0.405982D+01 -0.854032D+00 -0.276741D+00
                56            57            58            59            60 
      1  -0.276276D+01 -0.276741D+00 -0.191760D+01 -0.362140D+01  0.218403D+00
      2   0.522728D+01 -0.244737D+00 -0.362140D+01 -0.226187D+01  0.643685D-01
      3  -0.244737D+00  0.238092D+01  0.218403D+00  0.643685D-01 -0.175534D+01
                61            62            63            64            65 
      1  -0.412667D+00  0.294856D+00  0.481161D+00  0.119064D+01 -0.219350D+01
      2   0.294856D+00 -0.127921D+01 -0.400397D+01 -0.219350D+01  0.936015D+00
      3   0.481161D+00 -0.400397D+01  0.418764D+00 -0.119892D+00  0.256582D+00
                66            67            68            69            70 
      1  -0.119892D+00 -0.287794D+01  0.296420D+01  0.107120D+00 -0.322651D+00
      2   0.256582D+00  0.296420D+01 -0.653085D+01 -0.717420D-01  0.188584D+00
      3   0.736009D-01  0.107120D+00 -0.717420D-01 -0.699310D+00  0.148939D-02
                71            72            73            74            75 
      1   0.188584D+00  0.148939D-02  0.637114D+01  0.345666D+01 -0.109678D+01
      2   0.391113D+00 -0.148621D+00  0.345666D+01  0.336291D+01 -0.775769D+00
      3  -0.148621D+00 -0.760038D-02 -0.109678D+01 -0.775769D+00  0.686738D+00
                76            77            78            79            80 
      1   0.385375D+01  0.445932D+01 -0.972721D+00 -0.146779D+01 -0.970152D+00
      2   0.445932D+01  0.533411D+01 -0.111179D+01 -0.970152D+00 -0.917546D+00
      3  -0.972721D+00 -0.111179D+01  0.893959D+00 -0.981672D-01  0.602071D+00
                81            82            83            84            85 
      1  -0.981672D-01 -0.107745D+01  0.159173D+01 -0.770700D-01  0.641627D+00
      2   0.602071D+00  0.159173D+01 -0.235174D+01  0.126148D+00 -0.142757D+01
      3  -0.211836D+00 -0.770700D-01  0.126148D+00 -0.181858D+00  0.233245D+00
                86            87            88            89            90 
      1  -0.142757D+01  0.233245D+00  0.177881D-01 -0.427766D-01  0.139421D+00
      2   0.108721D+02 -0.106487D+01 -0.427766D-01 -0.906870D+00  0.312893D+00
      3  -0.106487D+01  0.999306D+00  0.139421D+00  0.312893D+00 -0.156316D+00
                91            92            93            94            95 
      1  -0.207460D+02 -0.311696D+01 -0.193802D+01 -0.875330D+00 -0.238038D+01
      2  -0.311696D+01 -0.949738D+00 -0.347465D+00 -0.238038D+01  0.140994D+01
      3  -0.193802D+01 -0.347465D+00 -0.328698D+01  0.325170D+00  0.336927D+01
                96            97            98            99           100 
      1   0.325170D+00 -0.707221D+01 -0.630754D+00 -0.608253D+01 -0.790287D+01
      2   0.336927D+01 -0.630754D+00  0.224929D+01 -0.184790D+01  0.156437D+01
      3  -0.731308D+00 -0.608253D+01 -0.184790D+01 -0.834402D+00  0.193936D+01
               101           102           103           104           105 
      1   0.156437D+01  0.193936D+01 -0.155783D+01  0.243453D+01  0.630047D+00
      2   0.179210D+01  0.745945D+00  0.243453D+01 -0.164642D+01 -0.345750D+01
      3   0.745945D+00  0.356744D+01  0.630047D+00 -0.345750D+01  0.128415D+01
               106           107           108           109           110 
      1   0.196576D+01  0.811252D+00  0.256832D+01 -0.247319D+01 -0.940117D+00
      2   0.811252D+00 -0.256153D+01  0.252227D+01 -0.940117D+00 -0.217052D+00
      3   0.256832D+01  0.252227D+01  0.334653D+01  0.324033D-01 -0.334888D+00
               111           112           113           114           115 
      1   0.324033D-01 -0.106707D+01  0.764101D+00  0.346564D-01  0.117025D+02
      2  -0.334888D+00  0.764101D+00 -0.704750D-01 -0.144556D+00  0.407246D+00
      3   0.142724D+01  0.346564D-01 -0.144556D+00  0.656812D+00  0.512874D+01
               116           117           118           119           120 
      1   0.407246D+00  0.512874D+01  0.377146D+01  0.187635D+01 -0.157301D+01
      2   0.609111D+00  0.384824D+00  0.187635D+01  0.100305D+01 -0.519131D+00
      3   0.384824D+00  0.939267D+00 -0.157301D+01 -0.519131D+00  0.167280D+01
               121           122           123           124           125 
      1   0.545914D+01  0.174395D+01 -0.112693D+01 -0.225207D+01 -0.585353D+00
      2   0.174395D+01  0.260832D+01 -0.203005D+01 -0.585353D+00 -0.195093D+01
      3  -0.112693D+01 -0.203005D+01  0.183068D+01  0.262476D+01  0.173637D+01
               126           127           128           129           130 
      1   0.262476D+01 -0.727872D+00 -0.257768D+00 -0.133973D+01  0.283787D+00
      2   0.173637D+01 -0.257768D+00 -0.104356D+01 -0.916125D+00 -0.367652D+00
      3  -0.351277D+01 -0.133973D+01 -0.916125D+00 -0.255374D+01 -0.122897D+00
               131           132           133           134           135 
      1  -0.367652D+00 -0.122897D+00 -0.172834D+01  0.231537D+00 -0.514431D+00
      2  -0.111555D+01 -0.104089D+01  0.231537D+00 -0.184167D+01 -0.254392D+01
      3  -0.104089D+01 -0.144216D+01 -0.514431D+00 -0.254392D+01 -0.747240D+01
               136           137           138           139           140 
      1  -0.123755D-01 -0.508946D+00  0.435203D+00 -0.124854D+01  0.307947D+00
      2  -0.508946D+00 -0.932538D+00  0.234667D-01  0.307947D+00 -0.446299D+01
      3   0.435203D+00  0.234667D-01 -0.800003D+00  0.684874D-02  0.161872D+01
               141           142           143           144           145 
      1   0.684874D-02  0.133250D+01 -0.664377D+00 -0.361093D+00  0.124936D+02
      2   0.161872D+01 -0.664377D+00  0.292348D+01 -0.157611D+01 -0.318512D+01
      3  -0.161879D+01 -0.361093D+00 -0.157611D+01  0.187097D+01 -0.226937D+01
               146           147           148           149           150 
      1  -0.318512D+01 -0.226937D+01 -0.172926D+01  0.139952D+01  0.209332D+00
      2   0.186604D+01  0.750488D+00  0.139952D+01 -0.527943D+00 -0.129043D-01
      3   0.750488D+00  0.146205D+01  0.209332D+00 -0.129043D-01 -0.179487D+00
               151           152           153           154           155 
      1  -0.141250D+01  0.279580D+00  0.130839D+01  0.185265D+02  0.258314D+01
      2   0.279580D+00  0.518746D-01 -0.606812D+00  0.258314D+01  0.198342D+01
      3   0.130839D+01 -0.606812D+00 -0.100370D+01  0.145405D+01  0.607419D+00
               156           157           158           159           160 
      1   0.145405D+01  0.334488D+01  0.416045D+01  0.244706D+00  0.223934D+01
      2   0.607419D+00  0.416045D+01  0.196492D+01  0.500704D+00  0.528727D+00
      3   0.256249D+01  0.244706D+00  0.500704D+00  0.267468D+00  0.302636D+01
               161           162           163           164           165 
      1   0.528727D+00  0.302636D+01  0.115202D+02  0.382136D+00  0.458753D+01
      2  -0.262024D+00  0.689300D+00  0.382136D+00 -0.565098D+00 -0.218669D+00
      3   0.689300D+00  0.438473D+00  0.458753D+01 -0.218669D+00  0.783090D+00
               166           167           168           169           170 
      1   0.198722D+01 -0.470348D+00  0.354315D+00  0.142590D+01 -0.421665D+00
      2  -0.470348D+00 -0.350533D+00  0.124720D+01 -0.421665D+00  0.464128D+00
      3   0.354315D+00  0.124720D+01 -0.160506D+00  0.376057D+00  0.175604D+00
               171           172           173           174           175 
      1   0.376057D+00 -0.103062D+02  0.119630D-01 -0.253821D+01 -0.124018D+01
      2   0.175604D+00  0.119630D-01 -0.382859D-01  0.134507D+00  0.301356D+00
      3   0.652405D+01 -0.253821D+01  0.134507D+00 -0.262906D+01 -0.304971D+00
               176           177           178           179           180 
      1   0.301356D+00 -0.304971D+00 -0.609313D+01  0.123879D+00 -0.250618D+01
      2  -0.119475D+00  0.605545D+00  0.123879D+00  0.115576D+01 -0.126247D+00
      3   0.605545D+00 -0.505036D+00 -0.250618D+01 -0.126247D+00  0.300764D-01
               181           182           183           184           185 
      1  -0.623876D+01  0.130730D+01 -0.166073D+00 -0.134226D+02 -0.273135D+01
      2   0.130730D+01 -0.952177D+01 -0.890207D-01 -0.273135D+01  0.518561D+01
      3  -0.166073D+00 -0.890207D-01 -0.255824D+01  0.110197D+01 -0.416585D+00
               186           187           188           189           190 
      1   0.110197D+01  0.112989D+01 -0.627489D+00 -0.406813D+01 -0.415913D+02
      2  -0.416585D+00 -0.627489D+00  0.139544D-01 -0.249518D+01 -0.565395D+01
      3  -0.157608D+01 -0.406813D+01 -0.249518D+01  0.191797D+01  0.338801D+01
               191           192           193           194           195 
      1  -0.565395D+01  0.338801D+01 -0.134341D+01 -0.222451D+01 -0.661292D+00
      2  -0.949614D+01  0.100011D+01 -0.222451D+01 -0.120091D+02  0.909278D+00
      3   0.100011D+01 -0.449393D+01 -0.661292D+00  0.909278D+00  0.449979D+00
               196           197           198           199           200 
      1   0.346232D+01  0.936634D-01 -0.732425D+01  0.377727D+02  0.905576D+01
      2   0.936634D-01  0.230356D+01 -0.722656D+00  0.905576D+01  0.749126D+01
      3  -0.732425D+01 -0.722656D+00  0.188010D+01 -0.421254D+01 -0.667086D+00
               201           202           203           204           205 
      1  -0.421254D+01  0.167102D+02  0.371217D+01 -0.175503D+01 -0.642108D+01
      2  -0.667086D+00  0.371217D+01  0.566757D+01 -0.950503D-01 -0.933102D+00
      3   0.738173D+00 -0.175503D+01 -0.950503D-01  0.290199D+01  0.285034D+00
               206           207           208           209           210 
      1  -0.933102D+00  0.285034D+00  0.123026D+02  0.432187D+01 -0.175586D+01
      2  -0.591467D+00  0.462606D+01  0.432187D+01  0.361534D+01 -0.769625D+00
      3   0.462606D+01 -0.125753D+01 -0.175586D+01 -0.769625D+00  0.585852D+00
               211           212           213           214           215 
      1  -0.251735D+01 -0.309647D+01  0.442493D+00 -0.117256D+01 -0.105174D+00
      2  -0.309647D+01  0.120405D+01  0.145622D+00 -0.105174D+00 -0.416470D+00
      3   0.442493D+00  0.145622D+00 -0.140931D+01  0.309214D+00  0.674327D+00
               216           217           218           219           220 
      1   0.309214D+00  0.370681D+00 -0.444717D+01  0.767749D+00 -0.436059D+01
      2   0.674327D+00 -0.444717D+01 -0.545637D+00  0.120929D+01  0.265201D+01
      3  -0.847938D-02  0.767749D+00  0.120929D+01  0.162640D+00  0.130270D+01
               221           222           223           224           225 
      1   0.265201D+01  0.130270D+01  0.884981D+00  0.112676D+01  0.201741D+01
      2   0.156692D+01  0.774966D+00  0.112676D+01  0.895210D+00  0.431699D+01
      3   0.774966D+00  0.615308D+01  0.201741D+01  0.431699D+01 -0.211637D+01
               226           227           228           229           230 
      1   0.630310D+00 -0.149045D+01  0.750161D-01 -0.457582D+00  0.852176D+00
      2  -0.149045D+01  0.210958D+01 -0.267613D-01  0.852176D+00 -0.977675D+01
      3   0.750161D-01 -0.267613D-01  0.130454D+00 -0.130405D+00  0.697858D+00
               231           232           233           234           235 
      1  -0.130405D+00 -0.298798D-01  0.493760D-01 -0.104202D+00 -0.660413D+01
      2   0.697858D+00  0.493760D-01  0.726216D+00 -0.215777D+00 -0.326529D+01
      3  -0.890538D+00 -0.104202D+00 -0.215777D+00  0.102822D+00  0.107097D+01
               236           237           238           239           240 
      1  -0.326529D+01  0.107097D+01 -0.475902D+01 -0.434795D+01  0.954294D+00
      2  -0.265676D+01  0.575193D+00 -0.434795D+01 -0.477773D+01  0.909629D+00
      3   0.575193D+00 -0.450457D+00  0.954294D+00  0.909629D+00 -0.733145D+00
               241           242           243           244           245 
      1   0.143498D+01  0.912239D+00  0.164158D+00 -0.133345D+01  0.255882D+01
      2   0.912239D+00  0.838822D+00 -0.294681D+00  0.255882D+01 -0.209690D+01
      3   0.164158D+00 -0.294681D+00  0.769615D-01 -0.201785D+00 -0.668074D-01
               246           247           248           249           250 
      1  -0.201785D+00  0.303595D+01 -0.365077D+01  0.170625D+00 -0.258037D+00
      2  -0.668074D-01 -0.365077D+01  0.844149D+01 -0.426942D+00  0.610767D-01
      3  -0.291253D+00  0.170625D+00 -0.426942D+00  0.931595D+00 -0.230422D+00
               251           252           253           254           255 
      1   0.610767D-01 -0.230422D+00  0.529761D+00  0.266174D-01  0.887318D+00
      2  -0.617360D+00  0.133692D+00  0.266174D-01  0.341978D+00 -0.539647D-01
      3   0.133692D+00 -0.557503D-01  0.887318D+00 -0.539647D-01  0.484128D+00
               256           257           258           259           260 
      1  -0.117004D+01 -0.148527D+01  0.999221D+00  0.366237D+01  0.109595D+01
      2  -0.148527D+01 -0.216018D+01  0.190638D+01  0.109595D+01  0.178885D+01
      3   0.999221D+00  0.190638D+01 -0.298181D+01 -0.292464D+01 -0.276659D+01
               261           262           263           264           265 
      1  -0.292464D+01 -0.103910D+01 -0.659692D+00 -0.143392D+01 -0.264188D+01
      2  -0.276659D+01 -0.659692D+00 -0.290581D+00 -0.553651D+00 -0.256954D+01
      3   0.645785D+01 -0.143392D+01 -0.553651D+00 -0.130683D+00 -0.146802D+01
               266           267           268           269           270 
      1  -0.256954D+01 -0.146802D+01 -0.457428D+01 -0.191191D+01 -0.237840D+01
      2  -0.348272D+01 -0.212099D+01 -0.191191D+01 -0.241610D+01 -0.259475D+01
      3  -0.212099D+01 -0.267832D+01 -0.237840D+01 -0.259475D+01 -0.359333D+01
               271           272           273           274           275 
      1  -0.139417D+02  0.283332D+01  0.959914D+00  0.627169D+01 -0.238797D+01
      2   0.283332D+01 -0.134320D+01 -0.296462D+00 -0.238797D+01  0.182266D+01
      3   0.959914D+00 -0.296462D+00 -0.110861D+01 -0.590627D+00  0.105526D+00
               276           277           278           279 
      1  -0.590627D+00  0.698543D+00 -0.301633D+00 -0.174986D+01
      2   0.105526D+00 -0.301633D+00 -0.398442D-01 -0.112174D-01
      3   0.393592D+00 -0.174986D+01 -0.112174D-01  0.481631D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.207099D+01  0.396428D+01  0.158452D+00  0.540016D+01  0.547441D+01
      2   0.140044D+02  0.587679D+01 -0.140160D+01 -0.143297D+02  0.203883D+00
      3  -0.273511D+01  0.390489D+02 -0.338826D+01  0.310298D+02  0.240075D+02
                 6             7             8             9            10 
      1  -0.102038D+01  0.315810D+01  0.681670D+01 -0.978128D+00  0.171733D+01
      2   0.655512D+00 -0.185945D+02 -0.271709D+01  0.233874D+01 -0.175484D+02
      3  -0.465702D+01 -0.247959D+01 -0.821409D+01 -0.742737D-01 -0.199559D+01
                11            12            13            14            15 
      1   0.664273D+01 -0.905272D+00  0.654971D+01  0.985713D+00  0.730054D+00
      2   0.933341D+00 -0.394682D+01  0.206453D+02  0.391178D+01 -0.213024D+01
      3   0.473803D+02 -0.369378D+01  0.615156D+02  0.226012D+02 -0.865178D+01
                16            17            18            19            20 
      1   0.262233D+01  0.611351D+01 -0.117353D+01  0.313674D+01 -0.100295D+00
      2  -0.215736D+02 -0.185077D+01  0.298394D+01 -0.216882D+02 -0.767387D+01
      3  -0.436912D+01 -0.919886D+01  0.226406D+01  0.102547D+02 -0.301348D+02
                21            22            23            24            25 
      1  -0.676633D+00 -0.436540D+00  0.391285D+01 -0.287297D+01  0.448741D+01
      2   0.859826D+00 -0.110126D+02 -0.146721D+01 -0.125730D+01 -0.165371D+02
      3   0.160490D+01  0.346308D+01  0.215207D+01 -0.146358D+00  0.339945D+01
                26            27            28            29            30 
      1   0.155686D+01  0.255750D+01  0.235262D+01  0.601277D+00 -0.340544D+00
      2  -0.599690D+01  0.182872D+01  0.271468D+02  0.354068D+01  0.116308D+01
      3   0.470993D+01  0.242394D+01  0.109804D+02  0.675508D+01 -0.695860D+00
                31            32            33            34            35 
      1   0.567690D+01 -0.598487D+01  0.316238D+01 -0.172937D+01  0.140870D+02
      2   0.390282D+01 -0.649320D-01  0.403886D-01 -0.141292D+02 -0.830489D+00
      3   0.278222D+02  0.396917D+01  0.212755D+01 -0.329039D+01 -0.111618D+01
                36            37            38            39            40 
      1  -0.242613D+01  0.196413D+01 -0.507773D+01 -0.593633D+01 -0.314582D+01
      2   0.123096D+01  0.320631D+01  0.284693D+00  0.306165D+01  0.337748D+01
      3  -0.184136D+00  0.281115D+02  0.130015D+01 -0.505139D+00 -0.299993D+01
                41            42            43            44            45 
      1   0.535819D+01 -0.105301D+01 -0.153348D+02  0.744571D+01  0.139881D+01
      2   0.204807D+01  0.895860D+00 -0.828742D+01  0.672896D+01  0.702885D+00
      3   0.244020D+01 -0.161962D+01 -0.636308D+00 -0.206543D+01  0.642792D+01
                46            47            48            49            50 
      1  -0.499013D+01  0.176066D+00  0.573783D+01 -0.195898D+01 -0.390095D+01
      2  -0.908845D+01 -0.140532D+01  0.752161D+00 -0.144710D+01 -0.108549D+01
      3  -0.485602D+02 -0.326473D+02  0.607324D+01 -0.718875D+01 -0.227799D+02
                51            52            53            54            55 
      1  -0.397432D+01  0.826345D+01 -0.401372D+01 -0.269727D+01 -0.148144D+01
      2   0.114280D+01 -0.158660D+02  0.149715D+01  0.295203D+00 -0.599059D+01
      3   0.304747D+01  0.758349D+01  0.611418D+01 -0.666875D+01 -0.286531D+02
                56            57            58            59            60 
      1  -0.524602D+01  0.592960D+01  0.994449D+00 -0.309137D+01 -0.309621D+01
      2  -0.374800D+01 -0.567668D+01 -0.341687D+01 -0.303443D+01  0.392156D+01
      3  -0.327136D+02  0.462054D+01 -0.140356D+01 -0.260631D+02  0.158103D+01
                61            62            63            64            65 
      1   0.584537D+01 -0.157114D+01 -0.572340D+00  0.469320D+00  0.704803D+00
      2  -0.213558D+02  0.561804D+01  0.125294D+01 -0.291480D+00 -0.374854D+00
      3   0.364180D+01  0.554288D+01 -0.109442D+02 -0.972620D+00  0.136520D+01
                66            67            68            69            70 
      1   0.585367D+00 -0.421335D+00  0.172560D+01 -0.340600D+01  0.486288D+00
      2  -0.767540D-01 -0.700760D+00  0.860126D+00 -0.113606D+01 -0.219274D+01
      3   0.295666D-01  0.540798D+01  0.428166D+01 -0.524624D+00 -0.944474D-01
                71            72            73            74            75 
      1   0.200206D+01 -0.214541D+00 -0.218360D+00 -0.122174D+01 -0.232205D+01
      2   0.118640D+01  0.741394D-02  0.372881D+01  0.136838D+01  0.172228D+01
      3  -0.609880D+00 -0.767908D+00  0.971954D+01  0.217320D+00 -0.877831D+00
                76            77            78            79            80 
      1  -0.147500D+01 -0.203470D+01 -0.265367D+01  0.278205D+01  0.122500D+01
      2   0.167282D+01  0.150687D+01  0.221054D+01 -0.338568D+01  0.117740D+00
      3   0.175693D+01 -0.128064D+01 -0.812815D-01 -0.179203D+01  0.144785D+00
                81            82            83            84            85 
      1  -0.152234D+00 -0.118642D+01  0.149280D+01  0.125460D+01  0.361824D+00
      2  -0.542847D+00 -0.890032D+00  0.870512D+00  0.623770D+00  0.678338D+00
      3  -0.981074D+00 -0.514242D+01  0.281388D+01  0.492842D-01  0.536474D+01
                86            87            88            89            90 
      1  -0.412357D+01 -0.451745D+01 -0.129292D+01  0.247722D+01  0.288210D+00
      2  -0.126714D+01 -0.815852D+00 -0.550045D+00 -0.862308D+00  0.256354D+00
      3  -0.385726D+01  0.659646D+00  0.536620D+00  0.364101D+00  0.889503D+00
                91            92            93            94            95 
      1  -0.213326D+00  0.131037D+01 -0.162480D+00 -0.117216D+01 -0.539762D-01
      2  -0.207335D+02 -0.225467D+01 -0.106689D+02  0.626773D+00  0.879264D+01
      3   0.139626D+01 -0.437966D+00 -0.101435D+01  0.179350D+02 -0.699906D+01
                96            97            98            99           100 
      1  -0.334800D+01 -0.246546D+01  0.372640D+01  0.356203D+01  0.790773D+00
      2  -0.204843D+01 -0.382494D+02 -0.608940D+01 -0.668486D+01 -0.305221D+01
      3  -0.134789D+02 -0.559464D+00 -0.120220D+02  0.609195D+01  0.113486D+02
               101           102           103           104           105 
      1  -0.341697D+01  0.410471D+01 -0.138294D+01 -0.396730D+01  0.620009D+01
      2   0.466930D+01  0.176274D+02  0.138466D+01 -0.908710D+01  0.575356D+01
      3  -0.172554D+02 -0.686797D+01 -0.114034D+02  0.115239D+01  0.146775D+02
               106           107           108           109           110 
      1   0.615239D+00  0.106971D+02  0.171075D+01 -0.377038D+01 -0.180342D+01
      2   0.880771D+01  0.999226D+01  0.151118D+02  0.207377D+02  0.283198D+01
      3  -0.516600D+01  0.104054D+02 -0.155238D+02  0.614423D+00  0.142203D+02
               111           112           113           114           115 
      1   0.414865D+01 -0.119996D+02 -0.374098D+01 -0.171436D+02  0.319820D+01
      2   0.391627D+01 -0.608285D+00  0.625995D+00 -0.202508D+01  0.180199D+02
      3  -0.193972D+00  0.122751D+02  0.759866D+01  0.300995D+01  0.375044D-01
               116           117           118           119           120 
      1  -0.471541D+01  0.163363D+01 -0.889827D+00 -0.137248D+01  0.477506D+00
      2  -0.110583D+01  0.269894D+01 -0.270490D+01 -0.470839D+00  0.592501D+01
      3   0.339041D+01 -0.563871D+00 -0.729118D+01 -0.587971D+01  0.195949D+01
               121           122           123           124           125 
      1  -0.313413D+00 -0.259401D+01  0.563459D+00  0.356962D+00  0.286320D+01
      2   0.756892D+00 -0.536850D+01  0.579621D+01  0.576902D+01  0.509226D+01
      3  -0.193863D+01 -0.953390D+01  0.737057D+01  0.182815D+01  0.839356D+01
               126           127           128           129           130 
      1  -0.100944D+01 -0.130879D+01  0.148989D+01 -0.290584D+01  0.397823D+00
      2  -0.929548D+01 -0.780434D+01 -0.297801D+01 -0.991972D+01 -0.287340D+00
      3  -0.661463D+01  0.417600D+01  0.476848D+01  0.619912D+01  0.351510D+01
               131           132           133           134           135 
      1  -0.552789D-01 -0.231542D+01 -0.189053D+01  0.119137D+01 -0.792568D+01
      2  -0.418003D+01 -0.533086D+01 -0.674819D+01 -0.846433D+01 -0.263444D+02
      3   0.442246D+01  0.468419D+01  0.312595D+01  0.629142D+01  0.127665D+02
               136           137           138           139           140 
      1   0.205758D+01  0.140320D+01 -0.226489D+01  0.410282D+00  0.827926D+01
      2   0.221013D+01 -0.722418D+00 -0.209097D+01 -0.787028D+00  0.582325D+01
      3   0.515599D+01  0.510541D+01 -0.173855D+01  0.380747D+01  0.183110D+02
               141           142           143           144           145 
      1  -0.720298D+01 -0.590986D+00 -0.519976D+01  0.722816D+01  0.198390D+00
      2  -0.538624D+01 -0.193902D+01 -0.568305D+01  0.599735D+01  0.720099D+01
      3  -0.746790D+01 -0.186776D+01 -0.117091D+02  0.858912D+01 -0.730839D+01
               146           147           148           149           150 
      1  -0.170191D+01  0.188550D+01 -0.123750D+01  0.773624D+00 -0.132489D+01
      2  -0.523050D+00  0.541824D+01 -0.994462D+00  0.187658D+01 -0.588859D+00
      3  -0.591905D+01  0.692978D-01 -0.159625D+01  0.782426D+00 -0.129788D+01
               151           152           153           154           155 
      1   0.133946D+01 -0.481464D+00 -0.489093D+00  0.328504D+01  0.159370D+01
      2   0.249997D+01 -0.169040D+01 -0.244784D+01 -0.910536D+01 -0.551033D-01
      3   0.103179D+01 -0.112194D+01  0.732594D+00 -0.628822D+01 -0.237245D+02
               156           157           158           159           160 
      1  -0.399217D+01  0.866821D+01  0.251533D+01  0.112765D+01 -0.194553D+01
      2   0.211073D+02  0.235191D+01 -0.118867D+01  0.364572D+01  0.943316D+01
      3  -0.101893D+01 -0.157289D+02 -0.106514D+02 -0.198997D+01 -0.516492D+00
               161           162           163           164           165 
      1   0.328897D+01 -0.167700D+00  0.404494D+01  0.164718D+01  0.951150D+00
      2   0.325875D+01  0.204587D+01 -0.722719D+01 -0.262676D+01  0.281636D+00
      3  -0.268607D+01 -0.214833D+01 -0.303600D+01 -0.340802D+01  0.443517D+00
               166           167           168           169           170 
      1   0.392182D+01 -0.209265D+00  0.487662D+01  0.222364D+01  0.748165D+01
      2  -0.244604D+01  0.592401D+01  0.724534D-01 -0.101951D+02  0.602020D+00
      3   0.241341D+01  0.486883D+00 -0.566618D+01  0.969489D+00 -0.224090D+01
               171           172           173           174           175 
      1  -0.167371D+01 -0.461769D+01 -0.143796D+01 -0.166498D+01 -0.473983D+01
      2   0.217408D+02  0.192918D+02  0.129505D+01 -0.441007D+01  0.303763D+01
      3   0.233612D+00  0.248606D+01  0.154791D+01  0.202056D+00  0.461045D+01
               176           177           178           179           180 
      1   0.715285D-01 -0.263419D+01 -0.160904D+01 -0.878852D+00 -0.627265D+00
      2   0.183832D+01 -0.735198D+00 -0.455943D+00  0.482731D+00  0.118697D+01
      3  -0.403005D-01 -0.773405D+00  0.399830D+00  0.984805D+00  0.201564D+00
               181           182           183           184           185 
      1  -0.434477D+00  0.339951D+01 -0.650092D+01 -0.240997D+01 -0.407790D-01
      2   0.609844D+00  0.204819D+01  0.819683D+01 -0.565816D+01  0.229489D+01
      3   0.167458D+02  0.278798D+01 -0.217254D+01 -0.141419D+02  0.773888D+01
               186           187           188           189           190 
      1  -0.112371D+01 -0.114420D+02  0.601349D+01  0.202904D+01  0.216949D+01
      2   0.471647D+01 -0.385699D+01  0.100259D+02 -0.374743D+01 -0.128489D+02
      3  -0.238846D+00  0.159938D+01 -0.306460D+01 -0.420583D+00  0.448483D+01
               191           192           193           194           195 
      1   0.712556D+01  0.136719D+01  0.565286D+01  0.588361D+01  0.292230D+01
      2  -0.403847D+00  0.423271D+01  0.309427D+01 -0.212267D+01 -0.943246D+00
      3   0.182398D+02 -0.328810D+01  0.375788D+02  0.397550D+01 -0.451041D+01
               196           197           198           199           200 
      1  -0.530887D+00  0.118083D+02 -0.162113D+01  0.515730D+00 -0.636792D+01
      2   0.434356D+01 -0.367700D+01 -0.241554D+01  0.148539D+02 -0.141002D+01
      3  -0.598609D+01 -0.366161D+01 -0.357728D+00  0.172795D+02 -0.361862D+02
               201           202           203           204           205 
      1  -0.225413D-01 -0.541551D+00 -0.333918D+01 -0.363125D+01  0.611458D+01
      2   0.142581D+01  0.327749D+01 -0.183882D+01 -0.614736D+01 -0.200667D+02
      3   0.296446D+01  0.256595D+01 -0.100477D+02  0.287947D+01  0.194164D-01
               206           207           208           209           210 
      1   0.295936D+01 -0.114455D+01 -0.183313D+01 -0.638870D+01 -0.155314D+01
      2  -0.161137D+02  0.469596D+01  0.439053D+01 -0.125261D+01  0.128373D+02
      3   0.758666D+01  0.847828D+01 -0.137158D+01 -0.382793D+02  0.322905D+01
               211           212           213           214           215 
      1  -0.657007D-02  0.448765D+00 -0.488435D+01 -0.191716D+01 -0.950934D+00
      2  -0.802934D+00  0.923237D+00  0.701645D+01 -0.691589D+01 -0.125481D+01
      3  -0.104053D+01  0.122284D+02 -0.129782D+01  0.211756D+01  0.385405D+01
               216           217           218           219           220 
      1   0.110011D+01 -0.125251D+01  0.256078D+01  0.126818D+01  0.396283D+01
      2  -0.114073D+01 -0.622270D+01 -0.425581D+01 -0.193505D+01 -0.534659D+01
      3   0.212063D+01 -0.323486D+02  0.114140D+02  0.661777D+01  0.265014D+02
               221           222           223           224           225 
      1   0.342081D+01  0.441920D+01  0.996325D+01  0.642664D+01 -0.717108D-01
      2  -0.444556D+01 -0.397474D+02 -0.173575D+02 -0.284270D+02  0.135364D+02
      3   0.219073D+02  0.212033D+01  0.599022D+01  0.199102D+01  0.294434D+02
               226           227           228           229           230 
      1  -0.364266D+00  0.449681D+00  0.121408D+01 -0.211056D+00  0.381114D+00
      2  -0.569610D+00  0.142741D+00  0.367363D+00  0.550358D+00 -0.183923D+01
      3  -0.735968D+01  0.553810D+01  0.182011D+00  0.564088D+01 -0.197968D+02
               231           232           233           234           235 
      1  -0.445179D+01 -0.433938D+00  0.253938D+01  0.164999D+00  0.150074D+01
      2   0.638775D+00 -0.153652D+00 -0.583028D-01 -0.596162D-01 -0.187713D+01
      3   0.167123D+01  0.401015D+00  0.101013D+01  0.228477D+00  0.376220D+01
               236           237           238           239           240 
      1   0.184563D+00 -0.188789D+01  0.689678D+00 -0.675282D-01 -0.275312D+01
      2  -0.129409D+01  0.204553D+01 -0.207061D+01 -0.230992D+01  0.348726D+01
      3  -0.447104D+01 -0.802528D-01 -0.490410D+01 -0.114443D+02  0.161428D+01
               241           242           243           244           245 
      1   0.207989D+01  0.100786D+01  0.117650D+00 -0.203485D+00  0.581503D+00
      2  -0.265850D+01  0.580515D+00 -0.294354D+00 -0.795133D-01  0.653836D+00
      3  -0.201084D-01  0.159880D+01 -0.120490D+01  0.358959D+01 -0.352295D+01
               246           247           248           249           250 
      1   0.126486D+01  0.406541D+00 -0.416620D+00 -0.390946D+01  0.736008D-01
      2   0.134596D+01  0.184679D+00  0.583667D+00 -0.323630D+01 -0.199794D+01
      3  -0.321894D+00 -0.229526D+01  0.200995D+02 -0.125011D+01 -0.165746D+00
               251           252           253           254           255 
      1   0.179904D+01  0.503737D-01 -0.745957D+00  0.272691D+00  0.924874D+00
      2   0.223714D+00  0.176495D+00 -0.674461D+01  0.670737D+00 -0.268088D+01
      3  -0.185826D+01 -0.105690D+00 -0.145843D+01  0.883982D+00 -0.120016D+01
               256           257           258           259           260 
      1  -0.279916D+00 -0.124124D+01 -0.184161D+01 -0.141393D+01  0.210366D+01
      2  -0.378727D+01 -0.105148D+02  0.174890D+02  0.117092D+02  0.165006D+02
      3  -0.752562D+01 -0.166697D+02  0.121623D+02  0.499290D+01  0.130229D+02
               261           262           263           264           265 
      1   0.339585D+01 -0.365788D+00 -0.366795D+00 -0.229503D+00 -0.222228D+01
      2  -0.366113D+02  0.918787D+01  0.320707D+01  0.170447D+01  0.728835D+01
      3  -0.182374D+02 -0.498148D+01 -0.297742D+01 -0.241548D+01 -0.130039D+02
               266           267           268           269           270 
      1  -0.261889D+01 -0.433426D+01 -0.322012D+01 -0.952153D+00 -0.506291D+01
      2   0.122263D+02  0.168146D+02  0.116739D+02  0.159760D+02  0.215314D+02
      3  -0.247745D+02 -0.125258D+02 -0.865955D+01 -0.160100D+02 -0.160950D+02
               271           272           273           274           275 
      1   0.174416D+01 -0.109863D+01  0.926258D-01 -0.138194D+01  0.863324D+00
      2   0.141349D+00  0.442376D+00  0.857901D+01  0.865978D+00  0.374884D+00
      3   0.227148D+02 -0.130409D+02 -0.216039D+01 -0.158891D+02  0.124663D+02
               276           277           278           279 
      1  -0.895231D+00 -0.111076D+01  0.344045D+00  0.159379D+00
      2  -0.276877D+01  0.866635D+01  0.255473D+00 -0.228312D+01
      3   0.820621D+00 -0.207147D+01  0.173885D+00  0.679813D-03
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.917353D+02 -0.459693D+02  0.110542D+02  0.892897D+02 -0.508491D+01
      2   0.522262D+02  0.280871D+02 -0.817907D+01 -0.444006D+02  0.889604D+01
      3   0.395091D+02  0.178822D+02 -0.287518D+01 -0.448891D+02 -0.381113D+01
      4  -0.425866D+02  0.307089D+01  0.243078D+01 -0.378950D+01  0.824032D+01
      5   0.130419D+02  0.196722D+01 -0.291975D+01  0.261158D+01  0.164934D+01
      6   0.817845D+00 -0.456247D+01 -0.868855D-02  0.361931D+01  0.207083D+01
                 6             7             8             9            10 
      1  -0.931591D+01  0.167566D+01  0.469107D+01 -0.104294D+02  0.763775D+02
      2   0.351938D+01 -0.256785D+01 -0.386705D+01 -0.257010D+00 -0.299178D+02
      3   0.579653D+01  0.892189D+00 -0.824017D+00  0.106864D+02 -0.464597D+02
      4  -0.308632D+00  0.493594D+01 -0.157711D+00 -0.415635D+00  0.371078D+01
      5  -0.155987D+01 -0.609303D+00  0.142751D+01  0.295635D+01 -0.102223D+02
      6  -0.940593D+00 -0.305077D+01  0.383654D+01  0.207806D+01  0.379082D+00
                11            12            13            14            15 
      1  -0.117928D+02 -0.789053D+01 -0.104902D+03 -0.287214D+02  0.117672D+02
      2   0.848025D+01  0.144243D+01  0.489448D+02  0.240166D+02 -0.831807D+01
      3   0.331250D+01  0.644810D+01  0.559572D+02  0.470480D+01 -0.344917D+01
      4   0.270591D+01 -0.184215D+01 -0.207645D+02 -0.151257D+02  0.237440D+01
      5  -0.533891D+00 -0.896633D+01 -0.428221D-01 -0.283848D+00  0.107410D+01
      6  -0.808357D+00 -0.104866D+00 -0.164873D+01 -0.568180D+01 -0.179444D+01
                16            17            18            19            20 
      1   0.760073D+00  0.323392D+01 -0.948033D+01  0.578105D+02  0.521176D+02
      2  -0.269572D+01 -0.229397D+01 -0.474146D+00 -0.350354D+02 -0.363110D+02
      3   0.193565D+01 -0.939940D+00  0.995448D+01 -0.227751D+02 -0.158067D+02
      4   0.143687D+01  0.203215D+01 -0.232846D+01  0.401668D+02 -0.750038D+01
      5   0.174117D+00 -0.193802D+01  0.408282D+01 -0.923008D+01 -0.398137D+01
      6  -0.168311D+01  0.485366D+01  0.597273D+00 -0.477621D+00  0.106557D+02
                21            22            23            24            25 
      1  -0.148297D+02 -0.118599D+02  0.220007D+02 -0.719880D+01 -0.647520D+01
      2   0.844050D+01  0.166619D+02 -0.263300D+02  0.351584D+01 -0.393366D+00
      3   0.638920D+01 -0.480200D+01  0.432936D+01  0.368296D+01  0.686857D+01
      4  -0.353659D+01  0.160515D+02  0.138798D+01 -0.123592D+01 -0.108179D+02
      5  -0.124010D+01 -0.396079D+01 -0.105527D+01 -0.519668D+01  0.745742D+01
      6  -0.786155D+00 -0.268901D+01  0.788652D+01  0.515612D+01  0.554247D+00
                26            27            28            29            30 
      1  -0.162984D+02 -0.535375D+01  0.117937D+02 -0.190384D+01  0.856312D+01
      2   0.948356D+01 -0.527597D+01 -0.187460D+02  0.463303D+01 -0.324387D+01
      3   0.681483D+01  0.106297D+02  0.695233D+01 -0.272918D+01 -0.531925D+01
      4  -0.104631D+01 -0.336265D+01 -0.835226D+01  0.103992D+02 -0.140408D+01
      5  -0.779742D+01  0.392784D+01  0.783817D+01 -0.183142D+01  0.731674D+01
      6   0.843853D+01  0.321526D+01  0.185932D+01 -0.470548D+01  0.156084D+01
                31            32            33            34            35 
      1  -0.335367D+02 -0.674453D+02  0.968820D+01  0.137319D+02  0.103161D+02
      2   0.274013D+02  0.578543D+02 -0.105894D+02 -0.774727D+00 -0.750568D+01
      3   0.613534D+01  0.959095D+01  0.901181D+00 -0.129571D+02 -0.281040D+01
      4  -0.372432D+02  0.600406D+01 -0.185572D+01  0.807042D+01 -0.375800D+01
      5   0.887720D+01  0.917388D+00 -0.134125D+00  0.231805D+02  0.475369D+01
      6   0.866880D+00 -0.165100D+02 -0.939088D+00 -0.477250D+00  0.582879D+01
                36            37            38            39            40 
      1  -0.673216D+01 -0.117745D+02 -0.659893D+02  0.114608D+02  0.298414D+02
      2  -0.637365D+01  0.502441D+01  0.503881D+02 -0.313209D+01 -0.293537D+02
      3   0.131058D+02  0.675007D+01  0.156012D+02 -0.832871D+01 -0.487614D+00
      4  -0.449579D+00 -0.109488D+02 -0.649941D+01  0.497109D+01  0.123992D+02
      5  -0.221715D+01 -0.120442D+01  0.902126D+01  0.529875D+01  0.863103D+00
      6   0.684758D+00  0.640574D+01 -0.919124D+01  0.125742D+02  0.425860D+01
                41            42            43            44            45 
      1   0.426427D+02 -0.608393D+01  0.548308D+01  0.700884D+01 -0.157570D+02
      2  -0.383302D+02  0.714586D+01  0.722766D+01 -0.154525D+00 -0.100544D+01
      3  -0.431255D+01 -0.106193D+01 -0.127107D+02 -0.685432D+01  0.167624D+02
      4  -0.172565D+02  0.364254D+01  0.961445D+01  0.535433D+01  0.766071D+01
      5   0.925107D+00  0.484138D+01  0.161598D+02  0.438233D+01 -0.597993D+01
      6   0.130291D+02 -0.120929D+01  0.181039D+02  0.963956D+01 -0.762513D+01
                46            47            48            49            50 
      1   0.224402D+02  0.508118D+02 -0.139854D+02 -0.110152D+02  0.462781D+01
      2  -0.159801D+02 -0.364212D+02  0.465683D+01  0.964296D+01 -0.143471D+02
      3  -0.646006D+01 -0.143906D+02  0.932856D+01  0.137224D+01  0.971928D+01
      4   0.284935D+01 -0.942554D+01  0.264610D+00  0.739827D+01  0.116539D+02
      5   0.967049D+01 -0.182285D+01 -0.132616D+01  0.180867D+01 -0.114791D+01
      6  -0.147083D+01  0.129721D+02 -0.118858D+02 -0.234613D+01  0.513642D+01
                51            52            53            54            55 
      1  -0.107245D+01 -0.414169D+01 -0.670543D+01 -0.221664D+02  0.116806D+02
      2   0.500759D+01  0.627591D+00  0.143634D+02  0.100956D+02 -0.140166D+02
      3  -0.393514D+01  0.351410D+01 -0.765799D+01  0.120708D+02  0.233599D+01
      4  -0.167815D+01 -0.136124D+01  0.242531D+01 -0.346536D+01  0.326165D+02
      5  -0.785494D-01  0.386468D+01  0.105071D-01  0.410442D+01 -0.119869D+02
      6   0.909535D+01 -0.546491D+01  0.220005D+02 -0.481672D+01 -0.265584D+01
                56            57            58            59            60 
      1   0.539703D+02 -0.101400D+02  0.331661D+01  0.234747D+02 -0.415838D+01
      2  -0.340602D+02  0.444149D+01  0.809659D+00 -0.247478D+02  0.415362D+01
      3  -0.199101D+02  0.569855D+01 -0.412627D+01  0.127310D+01  0.476261D-02
      4  -0.366637D+02 -0.503429D+00  0.299718D+02  0.151511D+02 -0.135666D+01
      5  -0.118545D+01 -0.109201D+02 -0.430442D+01 -0.182779D+00  0.583556D+01
      6   0.436991D+01 -0.966294D+01 -0.133272D+01  0.542549D+01  0.848802D+01
                61            62            63            64            65 
      1  -0.357832D+01 -0.992518D+01 -0.202420D+02  0.172535D+01 -0.280845D+00
      2   0.245878D+01  0.102468D+02  0.709567D+01  0.149135D+01 -0.124464D+01
      3   0.111954D+01 -0.321573D+00  0.131463D+02 -0.321669D+01  0.152549D+01
      4  -0.529298D+01  0.813345D+01  0.122968D+02 -0.715458D+01  0.935621D+01
      5   0.149317D+01  0.137613D+02  0.173793D+01 -0.247825D+01  0.155903D+01
      6   0.416772D-01  0.202831D+02  0.325994D+00  0.190506D+01 -0.158032D+01
                66            67            68            69            70 
      1  -0.650610D+00  0.406942D+01 -0.212408D+02 -0.670904D-01 -0.253291D+01
      2   0.263431D+00 -0.753675D+01  0.272164D+02  0.433636D-01  0.178526D+01
      3   0.387178D+00  0.346733D+01 -0.597555D+01  0.237268D-01  0.747648D+00
      4   0.541997D+00  0.124448D+02 -0.180121D+02 -0.284010D+00  0.490704D+00
      5   0.928780D+00  0.147860D+01 -0.419224D+00 -0.214927D+01  0.598338D+00
      6  -0.637781D+00 -0.231484D+01  0.430122D+01  0.487220D+01 -0.214962D+01
                71            72            73            74            75 
      1   0.239757D+01 -0.305071D+01  0.509963D+01 -0.355429D+01  0.135806D+01
      2  -0.212011D+01  0.313926D+01  0.486875D+01  0.109122D+02 -0.125462D+01
      3  -0.277462D+00 -0.885440D-01 -0.996837D+01 -0.735792D+01 -0.103440D+00
      4   0.670666D+00 -0.880138D+00  0.283649D+02  0.238760D+02 -0.533479D+01
      5   0.635652D-01 -0.944483D-01 -0.881288D+01 -0.554966D+01  0.547934D+01
      6   0.234027D+01 -0.428425D+00 -0.763185D+01 -0.696856D+01  0.468427D+01
                76            77            78            79            80 
      1  -0.780848D+01 -0.146409D+02  0.408444D+01 -0.241466D+00  0.244236D+01
      2   0.166169D+02  0.253318D+02 -0.387378D+01 -0.267571D+01 -0.310276D+01
      3  -0.880842D+01 -0.106909D+02 -0.210657D+00  0.291718D+01  0.660407D+00
      4   0.273054D+02  0.308922D+02 -0.600394D+01 -0.662286D+01 -0.558955D+01
      5  -0.597190D+01 -0.641618D+01  0.460546D+01  0.202027D+01  0.366902D+01
      6  -0.892892D+01 -0.108782D+02  0.711189D+01  0.833952D+00  0.474088D+01
                81            82            83            84            85 
      1  -0.699933D+00 -0.518481D+01  0.967712D+01 -0.407607D+00  0.660936D+01
      2   0.159473D+01  0.805679D+01 -0.137947D+02  0.492784D+00 -0.815432D+01
      3  -0.894795D+00 -0.287198D+01  0.411761D+01 -0.851766D-01  0.154497D+01
      4   0.390652D+01 -0.522755D+01  0.132450D+02 -0.122200D+01  0.782620D+01
      5  -0.188775D+01  0.156302D+01 -0.260759D+01  0.204330D+01 -0.156659D+01
      6  -0.241975D+01 -0.172356D+01  0.203917D+01 -0.205080D+01  0.212709D+01
                86            87            88            89            90 
      1  -0.538917D+02  0.593340D+01 -0.257681D+00  0.412284D+01 -0.238094D+01
      2   0.722457D+02 -0.565300D+01  0.765213D+00 -0.500960D+01  0.283124D+01
      3  -0.183539D+02 -0.280403D+00 -0.507532D+00  0.886756D+00 -0.450300D+00
      4  -0.147650D+02  0.161619D+01 -0.873316D+00 -0.370447D+00 -0.154962D+01
      5   0.476602D+01 -0.151489D+01  0.971894D+00 -0.166957D+01  0.175821D+00
      6  -0.140354D+02  0.913389D+01  0.750586D+00  0.460189D+01 -0.147837D+01
                91            92            93            94            95 
      1  -0.324653D+02 -0.192322D+02 -0.114816D+02 -0.109250D+02 -0.120026D+01
      2   0.268128D+02  0.162126D+02  0.574858D+01  0.116075D+02  0.785890D+00
      3   0.565247D+01  0.301960D+01  0.573306D+01 -0.682563D+00  0.414366D+00
      4  -0.137045D+02 -0.122061D+02  0.176585D+01 -0.231861D+02  0.128882D+02
      5  -0.150371D+02  0.166196D+01 -0.249173D+02  0.612963D+01  0.275998D+02
      6   0.216760D+01  0.483695D+01  0.381174D+00  0.773083D+01 -0.417449D+01
                96            97            98            99           100 
      1   0.868299D+01 -0.280173D+02 -0.429089D+00 -0.199383D+02 -0.623327D+02
      2  -0.101230D+02  0.197927D+02 -0.481691D+01  0.134443D+02  0.343304D+02
      3   0.144005D+01  0.822455D+01  0.524599D+01  0.649400D+01  0.280023D+02
      4   0.272766D+02  0.908897D+00  0.219875D+02 -0.103623D+02  0.297746D+02
      5  -0.407400D+01 -0.420702D+02 -0.124753D+02 -0.484057D+00  0.303338D+02
      6  -0.960469D+01 -0.463125D+01 -0.318281D+01  0.678196D+01 -0.713103D+01
               101           102           103           104           105 
      1   0.271844D+02  0.281206D+02  0.830397D+01  0.606843D+01 -0.524923D+01
      2  -0.195442D+02 -0.593741D+01 -0.961502D+01 -0.563480D+01  0.199935D+02
      3  -0.764025D+01 -0.221832D+02  0.131106D+01 -0.433626D+00 -0.147443D+02
      4   0.106501D+02 -0.123834D+01  0.175145D+02 -0.159943D+02 -0.268746D+02
      5  -0.612579D+00  0.208059D+02  0.191086D+01 -0.283635D+02  0.706898D+01
      6  -0.407903D+01 -0.129978D+02 -0.755498D+01  0.145461D+02 -0.119806D+01
               106           107           108           109           110 
      1   0.193741D+02  0.559061D+00  0.387828D+02 -0.887447D+02 -0.132651D+02
      2  -0.697937D+01  0.157457D+02 -0.155107D+02  0.344395D+02  0.785088D+00
      3  -0.123947D+02 -0.163048D+02 -0.232721D+02  0.543052D+02  0.124800D+02
      4   0.218469D+01 -0.184446D+02  0.908290D+01 -0.237820D+02 -0.207060D+02
      5   0.150728D+02  0.153102D+02  0.137323D+02 -0.157647D+02 -0.629407D+01
      6  -0.847088D+01 -0.676355D+01 -0.153822D+02 -0.228985D+01 -0.319505D+01
               111           112           113           114           115 
      1  -0.835950D+01 -0.107745D+02 -0.833442D+01 -0.483472D+01  0.345413D+02
      2   0.179901D+01  0.100967D+01  0.690464D+01  0.101526D+01 -0.270674D+02
      3   0.656049D+01  0.976478D+01  0.142979D+01  0.381946D+01 -0.747385D+01
      4  -0.459895D+01  0.883002D+01 -0.848077D+01 -0.222133D+01 -0.369467D+01
      5  -0.625424D+01 -0.495861D+01 -0.319385D+01  0.269369D+00  0.313970D+02
      6  -0.194969D+01 -0.444775D+01 -0.289703D+00  0.297224D+01  0.670365D+01
               116           117           118           119           120 
      1   0.419969D+00  0.233707D+02  0.167880D+02  0.977194D+01 -0.638947D+01
      2  -0.215931D+01 -0.755449D+01 -0.125631D+02 -0.707730D+01  0.579703D+01
      3   0.173934D+01 -0.158162D+02 -0.422495D+01 -0.269464D+01  0.592444D+00
      4  -0.543308D+00  0.293156D+01  0.158426D+02  0.123540D+02 -0.548686D+01
      5   0.405987D+01  0.606950D+01 -0.163846D+02 -0.662116D+01  0.173754D+02
      6  -0.196294D+01 -0.113436D+01 -0.573365D+01 -0.319404D+01  0.301383D+01
               121           122           123           124           125 
      1   0.185705D+02  0.230653D+01 -0.129783D+01 -0.811341D+01 -0.596780D+00
      2  -0.120986D+02 -0.139422D+01  0.358449D+01  0.879946D+01  0.472396D+01
      3  -0.647191D+01 -0.912307D+00 -0.228666D+01 -0.686050D+00 -0.412719D+01
      4   0.152157D+02  0.199003D+02 -0.158933D+02 -0.723419D+01 -0.158738D+02
      5  -0.121365D+02 -0.166573D+02  0.144487D+02  0.242547D+02  0.137930D+02
      6  -0.504348D+01 -0.912844D+01  0.912187D+01  0.496971D+01  0.782990D+01
               126           127           128           129           130 
      1   0.224794D+01 -0.667213D+01 -0.980618D+01 -0.212450D+02 -0.196902D+01
      2  -0.110956D+02  0.616762D-01  0.631469D+01  0.431815D+01  0.124266D+01
      3   0.884763D+01  0.661045D+01  0.349149D+01  0.169269D+02  0.726362D+00
      4   0.134655D+02  0.368026D+00 -0.502257D+01 -0.476471D+00 -0.163370D+00
      5  -0.280385D+02 -0.505713D+01 -0.344237D+01 -0.921632D+01  0.589625D+00
      6  -0.850851D+01  0.443458D+01  0.590764D+01  0.107837D+02  0.151742D+01
               131           132           133           134           135 
      1  -0.110053D+02 -0.912886D+01 -0.129106D+02 -0.126441D+02 -0.397741D+02
      2   0.629669D+01  0.360192D+01  0.436737D+01  0.348583D+01 -0.171813D+01
      3   0.470858D+01  0.552694D+01  0.854323D+01  0.915831D+01  0.414922D+02
      4  -0.450154D+01 -0.454193D+01  0.663344D+01 -0.102668D+02 -0.113371D+02
      5  -0.436606D+01 -0.763424D+01  0.404108D+01 -0.154662D+02 -0.414282D+02
      6   0.724256D+01  0.122975D+02  0.112955D+01  0.155509D+02  0.296241D+02
               136           137           138           139           140 
      1   0.626074D+00 -0.975128D+01  0.118684D+01 -0.745829D+01 -0.175287D+02
      2   0.263492D+01  0.910493D+01 -0.316086D+01  0.296184D+01  0.316926D+02
      3  -0.326099D+01  0.646347D+00  0.197402D+01  0.449645D+01 -0.141639D+02
      4  -0.384565D+01 -0.291177D+01 -0.852507D+00  0.744400D+01 -0.282530D+02
      5   0.179294D+01  0.117482D+01 -0.458149D+01  0.126289D+01  0.125023D+02
      6  -0.145582D+01  0.528668D+00  0.349818D+01  0.996088D-01 -0.368377D+01
               141           142           143           144           145 
      1   0.565835D+01  0.515323D+01  0.705965D+01 -0.106821D+02  0.968225D+02
      2  -0.129067D+02 -0.211917D+01 -0.167083D+02  0.112614D+02 -0.491348D+02
      3   0.724836D+01 -0.303406D+01  0.964863D+01 -0.579292D+00 -0.476876D+02
      4   0.104033D+02 -0.762253D+01  0.204698D+02 -0.880586D+01 -0.520867D+02
      5  -0.113043D+02 -0.191937D+01 -0.108898D+02  0.138539D+02 -0.395309D+02
      6   0.744458D+01  0.134406D+01  0.616703D+01 -0.707764D+01  0.105313D+02
               146           147           148           149           150 
      1  -0.190072D+02 -0.145335D+02 -0.932228D+01  0.929157D+01  0.163762D+01
      2   0.563627D+01  0.982260D+01  0.823774D+00 -0.185745D+01 -0.161998D+01
      3   0.133709D+02  0.471088D+01  0.849850D+01 -0.743412D+01 -0.176434D-01
      4   0.247032D+02  0.104169D+02  0.180577D+02 -0.897958D+01 -0.116423D+01
      5   0.104886D+02  0.191138D+02  0.378407D+01 -0.261405D+01 -0.231972D+01
      6  -0.589546D+01 -0.581933D+01 -0.418450D+01  0.109684D+01  0.253008D+01
               151           152           153           154           155 
      1  -0.994920D+01  0.183795D+01  0.605366D+01  0.200938D+03  0.260463D+02
      2   0.783846D+01 -0.291671D+01 -0.557031D+01 -0.942701D+02 -0.913222D+01
      3   0.211074D+01  0.107876D+01 -0.483345D+00 -0.106668D+03 -0.169141D+02
      4   0.541591D+01 -0.704044D+00 -0.661720D+01  0.359470D+02  0.406556D+02
      5   0.172874D+02 -0.582658D+01 -0.103476D+02  0.394687D+02  0.763376D+01
      6  -0.460480D+01  0.330438D+01  0.388091D+01  0.962185D+00  0.495977D+01
               156           157           158           159           160 
      1   0.116341D+02  0.228212D+02  0.345005D+02  0.588566D+00  0.123762D+02
      2  -0.110152D+02 -0.622394D+01 -0.115837D+02 -0.630789D+00 -0.117727D+02
      3  -0.618946D+00 -0.165973D+02 -0.229168D+02  0.422231D-01 -0.603496D+00
      4   0.549782D+01  0.495370D+02  0.252391D+02  0.548056D+01  0.495268D+01
      5   0.373896D+02  0.480669D+01  0.914798D+01  0.522929D+01  0.412377D+02
      6   0.136555D+01  0.937553D+01  0.374420D+01  0.562829D+01  0.244876D+01
               161           162           163           164           165 
      1   0.135896D+01  0.247327D+02  0.508531D+02  0.563322D+01  0.193874D+02
      2  -0.132894D+01 -0.167193D+02 -0.351850D+02 -0.230168D+01 -0.112715D+02
      3  -0.300186D-01 -0.801338D+01 -0.156680D+02 -0.333155D+01 -0.811587D+01
      4   0.292971D+01  0.664672D+01  0.653062D+01  0.610656D+01 -0.943475D+00
      5   0.719246D+01  0.120932D+02  0.349216D+02 -0.407586D+00  0.186587D+02
      6   0.470228D+01  0.194795D+01  0.333704D+01  0.934349D+00  0.506156D+00
               166           167           168           169           170 
      1   0.990927D+01 -0.112225D+02 -0.411681D-01 -0.190316D+01 -0.220039D+01
      2  -0.571015D+01  0.354118D+01  0.547227D+00 -0.178623D+01  0.142000D+01
      3  -0.419912D+01  0.768134D+01 -0.506059D+00  0.368939D+01  0.780400D+00
      4   0.181862D+01 -0.240165D+01  0.938626D+01 -0.182260D+01  0.439046D+01
      5   0.356587D+01  0.837727D+01 -0.110496D+01  0.123589D+02 -0.153923D+00
      6   0.168875D+01  0.183772D+00  0.116000D+02 -0.173709D+01  0.990365D+01
               171           172           173           174           175 
      1  -0.322406D+02 -0.500125D+02 -0.195700D+01  0.131660D+01 -0.773803D+01
      2  -0.110345D+02  0.313371D+02  0.133973D+01  0.710016D+01  0.558715D+01
      3   0.432751D+02  0.186753D+02  0.617267D+00 -0.841676D+01  0.215088D+01
      4  -0.127460D+01 -0.349155D+01 -0.372768D+01  0.243211D+00  0.331053D+00
      5   0.373879D+02 -0.266326D+02  0.450809D+00 -0.158915D+02 -0.271164D+01
      6  -0.747696D+00 -0.298604D+01 -0.281905D+01  0.646761D-01 -0.858470D+00
               176           177           178           179           180 
      1  -0.349841D+01  0.584060D+00 -0.147548D+02 -0.882368D+00 -0.897052D+01
      2   0.221145D+01  0.891323D+00  0.142156D+02  0.902015D+00  0.582527D+01
      3   0.128696D+01 -0.147538D+01  0.539140D+00 -0.196473D-01  0.314525D+01
      4  -0.224255D+00  0.229175D+01 -0.166013D+01 -0.690235D+00 -0.183538D+00
      5   0.213256D+01 -0.227665D+01 -0.145757D+02  0.854423D-01 -0.578568D+01
      6  -0.934091D+00  0.241358D+01 -0.807593D+00  0.412786D+00 -0.906972D+00
               181           182           183           184           185 
      1  -0.744990D+00 -0.566524D+02  0.832377D+01  0.858783D+02  0.320204D+02
      2   0.335141D+01  0.391177D+02 -0.356762D+01 -0.611125D+02 -0.258543D+02
      3  -0.260642D+01  0.175347D+02 -0.475615D+01 -0.247658D+02 -0.616608D+01
      4  -0.254592D+02  0.414824D+02  0.407248D+01  0.262587D+02 -0.338896D+02
      5   0.122385D+02  0.493979D+01  0.152300D+02 -0.517353D+01  0.608561D+01
      6   0.568462D+01  0.738006D+00  0.113809D+02  0.422237D+01  0.495931D+01
               186           187           188           189           190 
      1  -0.942064D+01 -0.358821D+01  0.683780D+01  0.132457D+01  0.155645D+03
      2   0.804251D+01  0.713983D+01 -0.212533D+01 -0.925113D+01 -0.855376D+02
      3   0.137812D+01 -0.355162D+01 -0.471248D+01  0.792657D+01 -0.701078D+02
      4   0.388543D+01  0.755431D+01  0.314851D+01  0.154069D+02  0.781486D+01
      5   0.112762D+02  0.277916D+02  0.157141D+02 -0.766239D+01 -0.262220D+01
      6   0.261750D+01  0.153080D+02  0.862555D+01 -0.352040D+01  0.280507D+01
               191           192           193           194           195 
      1   0.282865D+02 -0.143785D+02 -0.286093D+02 -0.296060D+02  0.894847D+01
      2  -0.163987D+02  0.433746D+01  0.283078D+02  0.310001D+02 -0.997723D+01
      3  -0.118878D+02  0.100411D+02  0.301478D+00 -0.139405D+01  0.102876D+01
      4   0.324070D+02 -0.399487D+01 -0.267687D+02  0.598321D+02 -0.337003D+01
      5  -0.523112D+01  0.964349D+01  0.102375D+02 -0.631194D+01 -0.151841D+01
      6   0.221267D+01 -0.526151D+01  0.911115D+00 -0.426284D+01 -0.509990D+01
               196           197           198           199           200 
      1  -0.403141D+01  0.302509D+01  0.249960D+02 -0.113911D+03 -0.267876D+01
      2   0.135955D+01 -0.298142D+01 -0.227760D+02  0.495882D+02 -0.975488D+00
      3   0.267187D+01 -0.436759D-01 -0.222006D+01  0.643223D+02  0.365424D+01
      4   0.696430D+01 -0.926308D+01  0.510207D+00 -0.598752D+01 -0.348768D+02
      5   0.512755D+02  0.585937D+01 -0.607652D+01  0.114038D+02  0.125590D+01
      6  -0.217350D+01  0.444976D+01  0.357435D+01 -0.304430D+01  0.293013D+01
               201           202           203           204           205 
      1   0.891374D+01 -0.820847D+02 -0.835815D+01  0.514695D+01  0.209381D+02
      2  -0.372127D+01  0.529583D+02 -0.863590D+01 -0.130408D+01 -0.121659D+02
      3  -0.519246D+01  0.291264D+02  0.169941D+02 -0.384287D+01 -0.877216D+01
      4   0.124610D+01 -0.351685D+01 -0.183444D+02 -0.991515D+00 -0.194441D+01
      5   0.361521D+01  0.509574D+01  0.223498D+00 -0.132066D+02  0.377409D+01
      6   0.599461D+00 -0.381342D+01  0.429167D+01  0.794918D+01 -0.270752D+01
               206           207           208           209           210 
      1  -0.488061D+01 -0.196771D+02 -0.190096D+02 -0.336181D+02  0.100924D+02
      2   0.651609D+01  0.231097D+01  0.960837D+01  0.186436D+02 -0.103463D+01
      3  -0.163548D+01  0.173662D+02  0.940120D+01  0.149745D+02 -0.905776D+01
      4   0.283332D+01 -0.243899D+02 -0.270693D+02  0.758594D+01  0.490115D+01
      5  -0.262366D+02  0.101394D+02  0.346614D+01  0.496730D+01  0.237009D+02
      6   0.161858D+02 -0.713177D+00  0.797739D+00 -0.252867D+01  0.478384D+01
               211           212           213           214           215 
      1   0.156349D+01  0.118529D+02  0.140913D+01  0.438379D+01  0.195546D+01
      2  -0.546739D+01 -0.357695D+01  0.198228D+01 -0.110319D+01 -0.693756D+00
      3   0.390390D+01 -0.827596D+01 -0.339141D+01 -0.328060D+01 -0.126170D+01
      4   0.351494D+02 -0.170783D+02 -0.201623D+00 -0.778904D+00  0.172864D+00
      5  -0.360307D-01  0.190875D+01  0.116229D+02  0.624934D+01 -0.564492D+01
      6  -0.671905D+00  0.217520D+01  0.767794D+01 -0.306061D+01  0.391387D+01
               216           217           218           219           220 
      1  -0.111470D+01 -0.617544D+02  0.507760D+02 -0.732609D+00  0.553641D+02
      2   0.117119D+01  0.341537D+02 -0.273187D+02 -0.128663D+01 -0.270126D+02
      3  -0.564923D-01  0.276006D+02 -0.234573D+02  0.201924D+01 -0.283515D+02
      4  -0.649817D+01  0.505680D+02 -0.514052D+01 -0.134667D+02 -0.346525D+02
      5  -0.432728D+01  0.321888D-01 -0.141996D+02 -0.967815D+01 -0.164111D+02
      6  -0.138726D+01 -0.581300D+01 -0.635970D+00 -0.112023D+01 -0.101986D+01
               221           222           223           224           225 
      1  -0.115513D+02 -0.213691D+02 -0.290653D+01 -0.168034D+02  0.216724D+01
      2   0.500570D+01  0.179495D+01 -0.318440D+01  0.247847D+01  0.164384D+01
      3   0.654555D+01  0.195741D+02  0.609093D+01  0.143249D+02 -0.381108D+01
      4  -0.240600D+02 -0.101454D+02 -0.137775D+02 -0.985208D+01 -0.484439D+02
      5  -0.111190D+02 -0.751216D+02 -0.247034D+02 -0.501110D+02  0.222838D+02
      6  -0.124504D+01 -0.153700D+02 -0.955645D+01 -0.113878D+02  0.757803D+01
               226           227           228           229           230 
      1  -0.556701D+01  0.145114D+02 -0.494886D+00  0.555456D+01 -0.495008D+02
      2   0.661582D+01 -0.143226D+02  0.545874D+00 -0.493284D+01  0.618260D+02
      3  -0.104881D+01 -0.188810D+00 -0.509874D-01 -0.621719D+00 -0.123252D+02
      4   0.125869D+01  0.424892D+01 -0.761746D+00  0.271627D+01  0.194965D+02
      5   0.276866D+00 -0.109957D+01  0.122874D+01 -0.164620D+00  0.120852D+01
      6  -0.212783D+00 -0.233404D+00 -0.157046D+01  0.422878D+00 -0.299799D+01
               231           232           233           234           235 
      1   0.388086D+01  0.211572D+00  0.285075D+01 -0.190215D+01  0.386192D+02
      2  -0.387274D+01 -0.713192D-01 -0.381094D+01  0.254482D+01 -0.136753D+02
      3  -0.812501D-02 -0.140252D+00  0.960186D+00 -0.642669D+00 -0.249439D+02
      4  -0.124144D+01 -0.457655D+00 -0.229999D+01 -0.113282D+01  0.339454D+02
      5   0.180873D+01  0.171429D+01 -0.531134D+00 -0.132461D+00 -0.771048D+01
      6   0.700651D+01 -0.589218D-01  0.296571D+01 -0.754159D+00 -0.324772D+01
               236           237           238           239           240 
      1   0.143935D+02 -0.527486D+01  0.188238D+02  0.791151D+01 -0.214136D+01
      2  -0.114650D+01  0.206953D+01  0.149115D+01  0.106428D+02 -0.438509D+00
      3  -0.132470D+02  0.320533D+01 -0.203150D+02 -0.185543D+02  0.257987D+01
      4   0.258050D+02 -0.553565D+01  0.388792D+02  0.403584D+02 -0.725078D+01
      5  -0.398115D+01  0.446628D+01 -0.634282D+01 -0.487923D+01  0.582845D+01
      6  -0.244344D+01  0.237959D+01 -0.408431D+01 -0.458790D+01  0.488662D+01
               241           242           243           244           245 
      1  -0.701252D+01 -0.240719D+01 -0.194008D+00  0.137224D+01 -0.642796D+01
      2   0.158265D+01 -0.645760D+00  0.974856D+00  0.460785D+01 -0.226572D+01
      3   0.542987D+01  0.305294D+01 -0.780848D+00 -0.598009D+01  0.869368D+01
      4  -0.843463D+01 -0.707732D+01  0.344931D+01 -0.198254D+02  0.210783D+02
      5   0.376700D-01  0.230364D+01 -0.144374D+01  0.247503D+01 -0.137855D+01
      6   0.611408D-01  0.216443D+01 -0.119952D+01 -0.891440D+00  0.437204D-01
               246           247           248           249           250 
      1   0.959576D+00 -0.285342D+01 -0.152205D+02  0.950875D+00  0.494834D+00
      2  -0.469547D+00 -0.886826D+01  0.331140D+02 -0.786185D+00 -0.256985D-01
      3  -0.490029D+00  0.117217D+02 -0.178935D+02 -0.164690D+00 -0.469136D+00
      4  -0.290759D+00  0.286125D+02 -0.542357D+02  0.284951D+01 -0.842820D+00
      5   0.290215D+01 -0.298827D+01  0.609434D+01 -0.612928D+01  0.211184D+01
      6  -0.177000D+01  0.153809D+01 -0.317554D+01  0.637593D+01 -0.267949D+01
               251           252           253           254           255 
      1   0.214509D+01 -0.130947D+01  0.228891D+01  0.233894D+01 -0.143604D+02
      2  -0.227580D+01  0.267956D+01 -0.269133D+01 -0.119085D+01  0.572337D+01
      3   0.130709D+00 -0.137009D+01  0.402421D+00 -0.114809D+01  0.863704D+01
      4   0.319005D+01 -0.178214D+01  0.661165D+00  0.545909D-02 -0.183791D+01
      5  -0.792858D+00  0.272209D+00 -0.117411D+02 -0.123677D+01 -0.553940D+00
      6   0.279978D+01 -0.830341D+00 -0.225315D+01  0.346010D+00 -0.114865D+01
               256           257           258           259           260 
      1   0.973518D+01  0.259696D+01  0.809422D+00 -0.324470D+02 -0.156842D+00
      2  -0.593818D+01 -0.611990D+00  0.202853D+01  0.223230D+02  0.291543D+01
      3  -0.379701D+01 -0.198497D+01 -0.283796D+01  0.101240D+02 -0.275859D+01
      4   0.204749D+02  0.255159D+02 -0.208834D+02 -0.145226D+02 -0.202342D+02
      5  -0.131108D+02 -0.203646D+02  0.344958D+02  0.370289D+02  0.305602D+02
      6  -0.478072D+01 -0.850177D+01  0.119540D+02  0.800702D+01  0.110471D+02
               261           262           263           264           265 
      1   0.809777D+00  0.204181D+02  0.874384D+01  0.139344D+02  0.254645D+02
      2  -0.150809D+02 -0.896667D+01 -0.329339D+01 -0.673599D+01 -0.965942D+01
      3   0.142711D+02 -0.114514D+02 -0.545045D+01 -0.719845D+01 -0.158051D+02
      4   0.296274D+02  0.105619D+02  0.813727D+01  0.803013D+01  0.349666D+02
      5  -0.691382D+02  0.166938D+02  0.760803D+01  0.446680D+01  0.188804D+02
      6  -0.150286D+02  0.348849D+01  0.100275D+01 -0.467859D-01  0.462716D+01
               266           267           268           269           270 
      1   0.142958D+02  0.917593D+01  0.424084D+02  0.119933D+02  0.970716D+01
      2   0.258832D+00 -0.459484D+00 -0.207040D+02 -0.282916D+01 -0.695574D+01
      3  -0.145547D+02 -0.871645D+01 -0.217044D+02 -0.916415D+01 -0.275142D+01
      4   0.425929D+02  0.245185D+02  0.249332D+02  0.282291D+02  0.292621D+02
      5   0.256825D+02  0.328993D+02  0.311698D+02  0.308408D+02  0.428136D+02
      6   0.661522D+01  0.836271D+01  0.747772D+01  0.850760D+01  0.838038D+01
               271           272           273           274           275 
      1   0.184273D+03 -0.345411D+02 -0.118266D+02 -0.731764D+02  0.281807D+02
      2  -0.963213D+02  0.182261D+02  0.734869D+01  0.378524D+02 -0.133760D+02
      3  -0.879517D+02  0.163150D+02  0.447792D+01  0.353240D+02 -0.148047D+02
      4  -0.380828D+02  0.212277D+02  0.370932D+01  0.351293D+02 -0.241742D+02
      5  -0.163076D+02  0.405246D+01  0.175849D+02  0.797793D+01 -0.184623D+01
      6   0.344283D+01 -0.163700D+01 -0.754977D+00 -0.279231D+01  0.214668D+01
               276           277           278           279 
      1   0.592346D+01 -0.833318D+01  0.316450D+01  0.173809D+02
      2  -0.329571D+01  0.614127D+01 -0.144473D+01 -0.104822D+02
      3  -0.262775D+01  0.219191D+01 -0.171977D+01 -0.689873D+01
      4  -0.172876D+01  0.366516D+01  0.204251D+00 -0.967605D+00
      5  -0.598093D+01  0.254033D+02 -0.877085D+00 -0.609331D+01
      6   0.224351D+01 -0.104341D+01  0.262305D+01  0.543597D-01
 Leave Link  716 at Fri Aug 13 02:50:20 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.304248D+03  0.133766D+02 -0.155064D+02
      2   0.133766D+02  0.174420D+03 -0.523578D+01
      3  -0.155064D+02 -0.523578D+01  0.120783D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.958848D+01 -0.293313D+02  0.124521D+02
      2   0.769558D+02  0.160033D+02  0.109091D+02
      3   0.410332D+02  0.554379D+02 -0.201625D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.325055D+03 -0.398868D+02  0.878700D+02
      2   0.154720D+03  0.198512D+02 -0.426622D+02
      3   0.170336D+03  0.200356D+02 -0.452079D+02
      4  -0.531136D+02 -0.116364D+03  0.387139D+02
      5   0.173441D+02  0.426551D+02  0.303886D+02
      6   0.115728D+02 -0.706501D+02 -0.346012D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.393485D+02  0.832202D+01 -0.382311D+01 -0.452416D+02 -0.617496D+01
      2   0.832202D+01  0.494175D+01 -0.169486D+01 -0.617496D+01 -0.580758D+01
      3  -0.382311D+01 -0.169486D+01  0.173887D+00  0.512032D+01  0.105546D+01
                 6             7             8             9            10 
      1   0.512032D+01  0.110507D+01 -0.302844D+00  0.114668D+01 -0.320607D+02
      2   0.105546D+01 -0.302844D+00 -0.126794D+00 -0.931958D+00 -0.649782D+01
      3  -0.271515D+00  0.114668D+01 -0.931958D+00  0.151640D+00  0.297582D+01
                11            12            13            14            15 
      1  -0.649782D+01  0.297582D+01  0.499193D+02  0.748416D+01 -0.575779D+01
      2  -0.860540D+00  0.437762D+00  0.748416D+01  0.768497D+01 -0.177667D+01
      3   0.437762D+00 -0.128985D+00 -0.575779D+01 -0.177667D+01  0.202317D+00
                16            17            18            19            20 
      1  -0.137125D+01  0.857793D-01 -0.380780D+00 -0.452012D+02 -0.965678D+01
      2   0.857793D-01 -0.448736D+00  0.112001D+01 -0.965678D+01 -0.968636D+01
      3  -0.380780D+00  0.112001D+01 -0.298043D+00  0.389840D+01  0.166694D+01
                21            22            23            24            25 
      1   0.389840D+01 -0.167007D+02 -0.209607D+01  0.265499D+00  0.735842D+01
      2   0.166694D+01 -0.209607D+01 -0.567657D+01  0.561009D+00  0.269061D+00
      3  -0.572091D+00  0.265499D+00  0.561009D+00 -0.212657D+01  0.258864D+00
                26            27            28            29            30 
      1   0.269061D+00  0.258864D+00  0.471735D+02  0.499700D+01 -0.111455D+01
      2   0.102215D+01 -0.365705D+01  0.499700D+01  0.439855D+01 -0.625102D+00
      3  -0.365705D+01  0.569076D+00 -0.111455D+01 -0.625102D+00  0.214337D+01
                31            32            33            34            35 
      1   0.801488D+01  0.230105D+01 -0.273304D+00 -0.484836D+01 -0.199825D+00
      2   0.230105D+01  0.159279D+02 -0.279743D+01 -0.199825D+00 -0.278232D+01
      3  -0.273304D+00 -0.279743D+01  0.336939D+00  0.573920D+01  0.121122D+01
                36            37            38            39            40 
      1   0.573920D+01  0.942726D+01 -0.165041D+01 -0.168005D+00  0.534374D+01
      2   0.121122D+01 -0.165041D+01  0.127363D+02 -0.128807D+01  0.117851D+01
      3  -0.142272D+01 -0.168005D+00 -0.128807D+01  0.267529D+01  0.533228D+00
                41            42            43            44            45 
      1   0.117851D+01  0.533228D+00 -0.670394D+00  0.108519D+01  0.461317D+01
      2  -0.905794D+01  0.162935D+01  0.108519D+01 -0.307314D+00  0.197797D+01
      3   0.162935D+01  0.603140D+00  0.461317D+01  0.197797D+01 -0.240091D+01
                46            47            48            49            50 
      1  -0.153033D+02  0.139766D+01  0.163292D+01  0.262450D+00  0.231676D+01
      2   0.139766D+01 -0.920972D+01  0.195435D+01  0.231676D+01  0.144124D+00
      3   0.163292D+01  0.195435D+01 -0.252427D+01 -0.901879D-01  0.467096D+00
                51            52            53            54            55 
      1  -0.901879D-01  0.168686D+01  0.523037D-01 -0.146535D+01  0.513067D+01
      2   0.467096D+00  0.523037D-01  0.203267D+01  0.405982D+01 -0.276276D+01
      3   0.185422D+01 -0.146535D+01  0.405982D+01 -0.854032D+00 -0.276741D+00
                56            57            58            59            60 
      1  -0.276276D+01 -0.276741D+00 -0.191760D+01 -0.362140D+01  0.218403D+00
      2   0.522728D+01 -0.244737D+00 -0.362140D+01 -0.226187D+01  0.643685D-01
      3  -0.244737D+00  0.238092D+01  0.218403D+00  0.643685D-01 -0.175534D+01
                61            62            63            64            65 
      1  -0.412667D+00  0.294856D+00  0.481161D+00  0.119064D+01 -0.219350D+01
      2   0.294856D+00 -0.127921D+01 -0.400397D+01 -0.219350D+01  0.936015D+00
      3   0.481161D+00 -0.400397D+01  0.418764D+00 -0.119892D+00  0.256582D+00
                66            67            68            69            70 
      1  -0.119892D+00 -0.287794D+01  0.296420D+01  0.107120D+00 -0.322651D+00
      2   0.256582D+00  0.296420D+01 -0.653085D+01 -0.717420D-01  0.188584D+00
      3   0.736009D-01  0.107120D+00 -0.717420D-01 -0.699310D+00  0.148939D-02
                71            72            73            74            75 
      1   0.188584D+00  0.148939D-02  0.637114D+01  0.345666D+01 -0.109678D+01
      2   0.391113D+00 -0.148621D+00  0.345666D+01  0.336291D+01 -0.775769D+00
      3  -0.148621D+00 -0.760038D-02 -0.109678D+01 -0.775769D+00  0.686738D+00
                76            77            78            79            80 
      1   0.385375D+01  0.445932D+01 -0.972721D+00 -0.146779D+01 -0.970152D+00
      2   0.445932D+01  0.533411D+01 -0.111179D+01 -0.970152D+00 -0.917546D+00
      3  -0.972721D+00 -0.111179D+01  0.893959D+00 -0.981672D-01  0.602071D+00
                81            82            83            84            85 
      1  -0.981672D-01 -0.107745D+01  0.159173D+01 -0.770700D-01  0.641627D+00
      2   0.602071D+00  0.159173D+01 -0.235174D+01  0.126148D+00 -0.142757D+01
      3  -0.211836D+00 -0.770700D-01  0.126148D+00 -0.181858D+00  0.233245D+00
                86            87            88            89            90 
      1  -0.142757D+01  0.233245D+00  0.177881D-01 -0.427766D-01  0.139421D+00
      2   0.108721D+02 -0.106487D+01 -0.427766D-01 -0.906870D+00  0.312893D+00
      3  -0.106487D+01  0.999306D+00  0.139421D+00  0.312893D+00 -0.156316D+00
                91            92            93            94            95 
      1  -0.207460D+02 -0.311696D+01 -0.193802D+01 -0.875330D+00 -0.238038D+01
      2  -0.311696D+01 -0.949738D+00 -0.347465D+00 -0.238038D+01  0.140994D+01
      3  -0.193802D+01 -0.347465D+00 -0.328698D+01  0.325170D+00  0.336927D+01
                96            97            98            99           100 
      1   0.325170D+00 -0.707221D+01 -0.630754D+00 -0.608253D+01 -0.790287D+01
      2   0.336927D+01 -0.630754D+00  0.224929D+01 -0.184790D+01  0.156437D+01
      3  -0.731308D+00 -0.608253D+01 -0.184790D+01 -0.834402D+00  0.193936D+01
               101           102           103           104           105 
      1   0.156437D+01  0.193936D+01 -0.155783D+01  0.243453D+01  0.630047D+00
      2   0.179210D+01  0.745945D+00  0.243453D+01 -0.164642D+01 -0.345750D+01
      3   0.745945D+00  0.356744D+01  0.630047D+00 -0.345750D+01  0.128415D+01
               106           107           108           109           110 
      1   0.196576D+01  0.811252D+00  0.256832D+01 -0.247319D+01 -0.940117D+00
      2   0.811252D+00 -0.256153D+01  0.252227D+01 -0.940117D+00 -0.217052D+00
      3   0.256832D+01  0.252227D+01  0.334653D+01  0.324033D-01 -0.334888D+00
               111           112           113           114           115 
      1   0.324033D-01 -0.106707D+01  0.764101D+00  0.346564D-01  0.117025D+02
      2  -0.334888D+00  0.764101D+00 -0.704750D-01 -0.144556D+00  0.407246D+00
      3   0.142724D+01  0.346564D-01 -0.144556D+00  0.656812D+00  0.512874D+01
               116           117           118           119           120 
      1   0.407246D+00  0.512874D+01  0.377146D+01  0.187635D+01 -0.157301D+01
      2   0.609111D+00  0.384824D+00  0.187635D+01  0.100305D+01 -0.519131D+00
      3   0.384824D+00  0.939267D+00 -0.157301D+01 -0.519131D+00  0.167280D+01
               121           122           123           124           125 
      1   0.545914D+01  0.174395D+01 -0.112693D+01 -0.225207D+01 -0.585353D+00
      2   0.174395D+01  0.260832D+01 -0.203005D+01 -0.585353D+00 -0.195093D+01
      3  -0.112693D+01 -0.203005D+01  0.183068D+01  0.262476D+01  0.173637D+01
               126           127           128           129           130 
      1   0.262476D+01 -0.727872D+00 -0.257768D+00 -0.133973D+01  0.283787D+00
      2   0.173637D+01 -0.257768D+00 -0.104356D+01 -0.916125D+00 -0.367652D+00
      3  -0.351277D+01 -0.133973D+01 -0.916125D+00 -0.255374D+01 -0.122897D+00
               131           132           133           134           135 
      1  -0.367652D+00 -0.122897D+00 -0.172834D+01  0.231537D+00 -0.514431D+00
      2  -0.111555D+01 -0.104089D+01  0.231537D+00 -0.184167D+01 -0.254392D+01
      3  -0.104089D+01 -0.144216D+01 -0.514431D+00 -0.254392D+01 -0.747240D+01
               136           137           138           139           140 
      1  -0.123755D-01 -0.508946D+00  0.435203D+00 -0.124854D+01  0.307947D+00
      2  -0.508946D+00 -0.932538D+00  0.234667D-01  0.307947D+00 -0.446299D+01
      3   0.435203D+00  0.234667D-01 -0.800003D+00  0.684874D-02  0.161872D+01
               141           142           143           144           145 
      1   0.684874D-02  0.133250D+01 -0.664377D+00 -0.361093D+00  0.124936D+02
      2   0.161872D+01 -0.664377D+00  0.292348D+01 -0.157611D+01 -0.318512D+01
      3  -0.161879D+01 -0.361093D+00 -0.157611D+01  0.187097D+01 -0.226937D+01
               146           147           148           149           150 
      1  -0.318512D+01 -0.226937D+01 -0.172926D+01  0.139952D+01  0.209332D+00
      2   0.186604D+01  0.750488D+00  0.139952D+01 -0.527943D+00 -0.129043D-01
      3   0.750488D+00  0.146205D+01  0.209332D+00 -0.129043D-01 -0.179487D+00
               151           152           153           154           155 
      1  -0.141250D+01  0.279580D+00  0.130839D+01  0.185265D+02  0.258314D+01
      2   0.279580D+00  0.518746D-01 -0.606812D+00  0.258314D+01  0.198342D+01
      3   0.130839D+01 -0.606812D+00 -0.100370D+01  0.145405D+01  0.607419D+00
               156           157           158           159           160 
      1   0.145405D+01  0.334488D+01  0.416045D+01  0.244706D+00  0.223934D+01
      2   0.607419D+00  0.416045D+01  0.196492D+01  0.500704D+00  0.528727D+00
      3   0.256249D+01  0.244706D+00  0.500704D+00  0.267468D+00  0.302636D+01
               161           162           163           164           165 
      1   0.528727D+00  0.302636D+01  0.115202D+02  0.382136D+00  0.458753D+01
      2  -0.262024D+00  0.689300D+00  0.382136D+00 -0.565098D+00 -0.218669D+00
      3   0.689300D+00  0.438473D+00  0.458753D+01 -0.218669D+00  0.783090D+00
               166           167           168           169           170 
      1   0.198722D+01 -0.470348D+00  0.354315D+00  0.142590D+01 -0.421665D+00
      2  -0.470348D+00 -0.350533D+00  0.124720D+01 -0.421665D+00  0.464128D+00
      3   0.354315D+00  0.124720D+01 -0.160506D+00  0.376057D+00  0.175604D+00
               171           172           173           174           175 
      1   0.376057D+00 -0.103062D+02  0.119630D-01 -0.253821D+01 -0.124018D+01
      2   0.175604D+00  0.119630D-01 -0.382859D-01  0.134507D+00  0.301356D+00
      3   0.652405D+01 -0.253821D+01  0.134507D+00 -0.262906D+01 -0.304971D+00
               176           177           178           179           180 
      1   0.301356D+00 -0.304971D+00 -0.609313D+01  0.123879D+00 -0.250618D+01
      2  -0.119475D+00  0.605545D+00  0.123879D+00  0.115576D+01 -0.126247D+00
      3   0.605545D+00 -0.505036D+00 -0.250618D+01 -0.126247D+00  0.300764D-01
               181           182           183           184           185 
      1  -0.623876D+01  0.130730D+01 -0.166073D+00 -0.134226D+02 -0.273135D+01
      2   0.130730D+01 -0.952177D+01 -0.890207D-01 -0.273135D+01  0.518561D+01
      3  -0.166073D+00 -0.890207D-01 -0.255824D+01  0.110197D+01 -0.416585D+00
               186           187           188           189           190 
      1   0.110197D+01  0.112989D+01 -0.627489D+00 -0.406813D+01 -0.415913D+02
      2  -0.416585D+00 -0.627489D+00  0.139544D-01 -0.249518D+01 -0.565395D+01
      3  -0.157608D+01 -0.406813D+01 -0.249518D+01  0.191797D+01  0.338801D+01
               191           192           193           194           195 
      1  -0.565395D+01  0.338801D+01 -0.134341D+01 -0.222451D+01 -0.661292D+00
      2  -0.949614D+01  0.100011D+01 -0.222451D+01 -0.120091D+02  0.909278D+00
      3   0.100011D+01 -0.449393D+01 -0.661292D+00  0.909278D+00  0.449979D+00
               196           197           198           199           200 
      1   0.346232D+01  0.936634D-01 -0.732425D+01  0.377727D+02  0.905576D+01
      2   0.936634D-01  0.230356D+01 -0.722656D+00  0.905576D+01  0.749126D+01
      3  -0.732425D+01 -0.722656D+00  0.188010D+01 -0.421254D+01 -0.667086D+00
               201           202           203           204           205 
      1  -0.421254D+01  0.167102D+02  0.371217D+01 -0.175503D+01 -0.642108D+01
      2  -0.667086D+00  0.371217D+01  0.566757D+01 -0.950503D-01 -0.933102D+00
      3   0.738173D+00 -0.175503D+01 -0.950503D-01  0.290199D+01  0.285034D+00
               206           207           208           209           210 
      1  -0.933102D+00  0.285034D+00  0.123026D+02  0.432187D+01 -0.175586D+01
      2  -0.591467D+00  0.462606D+01  0.432187D+01  0.361534D+01 -0.769625D+00
      3   0.462606D+01 -0.125753D+01 -0.175586D+01 -0.769625D+00  0.585852D+00
               211           212           213           214           215 
      1  -0.251735D+01 -0.309647D+01  0.442493D+00 -0.117256D+01 -0.105174D+00
      2  -0.309647D+01  0.120405D+01  0.145622D+00 -0.105174D+00 -0.416470D+00
      3   0.442493D+00  0.145622D+00 -0.140931D+01  0.309214D+00  0.674327D+00
               216           217           218           219           220 
      1   0.309214D+00  0.370681D+00 -0.444717D+01  0.767749D+00 -0.436059D+01
      2   0.674327D+00 -0.444717D+01 -0.545637D+00  0.120929D+01  0.265201D+01
      3  -0.847938D-02  0.767749D+00  0.120929D+01  0.162640D+00  0.130270D+01
               221           222           223           224           225 
      1   0.265201D+01  0.130270D+01  0.884981D+00  0.112676D+01  0.201741D+01
      2   0.156692D+01  0.774966D+00  0.112676D+01  0.895210D+00  0.431699D+01
      3   0.774966D+00  0.615308D+01  0.201741D+01  0.431699D+01 -0.211637D+01
               226           227           228           229           230 
      1   0.630310D+00 -0.149045D+01  0.750161D-01 -0.457582D+00  0.852176D+00
      2  -0.149045D+01  0.210958D+01 -0.267613D-01  0.852176D+00 -0.977675D+01
      3   0.750161D-01 -0.267613D-01  0.130454D+00 -0.130405D+00  0.697858D+00
               231           232           233           234           235 
      1  -0.130405D+00 -0.298798D-01  0.493760D-01 -0.104202D+00 -0.660413D+01
      2   0.697858D+00  0.493760D-01  0.726216D+00 -0.215777D+00 -0.326529D+01
      3  -0.890538D+00 -0.104202D+00 -0.215777D+00  0.102822D+00  0.107097D+01
               236           237           238           239           240 
      1  -0.326529D+01  0.107097D+01 -0.475902D+01 -0.434795D+01  0.954294D+00
      2  -0.265676D+01  0.575193D+00 -0.434795D+01 -0.477773D+01  0.909629D+00
      3   0.575193D+00 -0.450457D+00  0.954294D+00  0.909629D+00 -0.733145D+00
               241           242           243           244           245 
      1   0.143498D+01  0.912239D+00  0.164158D+00 -0.133345D+01  0.255882D+01
      2   0.912239D+00  0.838822D+00 -0.294681D+00  0.255882D+01 -0.209690D+01
      3   0.164158D+00 -0.294681D+00  0.769615D-01 -0.201785D+00 -0.668074D-01
               246           247           248           249           250 
      1  -0.201785D+00  0.303595D+01 -0.365077D+01  0.170625D+00 -0.258037D+00
      2  -0.668074D-01 -0.365077D+01  0.844149D+01 -0.426942D+00  0.610767D-01
      3  -0.291253D+00  0.170625D+00 -0.426942D+00  0.931595D+00 -0.230422D+00
               251           252           253           254           255 
      1   0.610767D-01 -0.230422D+00  0.529761D+00  0.266174D-01  0.887318D+00
      2  -0.617360D+00  0.133692D+00  0.266174D-01  0.341978D+00 -0.539647D-01
      3   0.133692D+00 -0.557503D-01  0.887318D+00 -0.539647D-01  0.484128D+00
               256           257           258           259           260 
      1  -0.117004D+01 -0.148527D+01  0.999221D+00  0.366237D+01  0.109595D+01
      2  -0.148527D+01 -0.216018D+01  0.190638D+01  0.109595D+01  0.178885D+01
      3   0.999221D+00  0.190638D+01 -0.298181D+01 -0.292464D+01 -0.276659D+01
               261           262           263           264           265 
      1  -0.292464D+01 -0.103910D+01 -0.659692D+00 -0.143392D+01 -0.264188D+01
      2  -0.276659D+01 -0.659692D+00 -0.290581D+00 -0.553651D+00 -0.256954D+01
      3   0.645785D+01 -0.143392D+01 -0.553651D+00 -0.130683D+00 -0.146802D+01
               266           267           268           269           270 
      1  -0.256954D+01 -0.146802D+01 -0.457428D+01 -0.191191D+01 -0.237840D+01
      2  -0.348272D+01 -0.212099D+01 -0.191191D+01 -0.241610D+01 -0.259475D+01
      3  -0.212099D+01 -0.267832D+01 -0.237840D+01 -0.259475D+01 -0.359333D+01
               271           272           273           274           275 
      1  -0.139417D+02  0.283332D+01  0.959914D+00  0.627169D+01 -0.238797D+01
      2   0.283332D+01 -0.134320D+01 -0.296462D+00 -0.238797D+01  0.182266D+01
      3   0.959914D+00 -0.296462D+00 -0.110861D+01 -0.590627D+00  0.105526D+00
               276           277           278           279 
      1  -0.590627D+00  0.698543D+00 -0.301633D+00 -0.174986D+01
      2   0.105526D+00 -0.301633D+00 -0.398442D-01 -0.112174D-01
      3   0.393592D+00 -0.174986D+01 -0.112174D-01  0.481631D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.207099D+01  0.396428D+01  0.158452D+00  0.540016D+01  0.547441D+01
      2   0.140044D+02  0.587679D+01 -0.140160D+01 -0.143297D+02  0.203883D+00
      3  -0.273511D+01  0.390489D+02 -0.338826D+01  0.310298D+02  0.240075D+02
                 6             7             8             9            10 
      1  -0.102038D+01  0.315810D+01  0.681670D+01 -0.978128D+00  0.171733D+01
      2   0.655512D+00 -0.185945D+02 -0.271709D+01  0.233874D+01 -0.175484D+02
      3  -0.465702D+01 -0.247959D+01 -0.821409D+01 -0.742737D-01 -0.199559D+01
                11            12            13            14            15 
      1   0.664273D+01 -0.905272D+00  0.654971D+01  0.985713D+00  0.730054D+00
      2   0.933341D+00 -0.394682D+01  0.206453D+02  0.391178D+01 -0.213024D+01
      3   0.473803D+02 -0.369378D+01  0.615156D+02  0.226012D+02 -0.865178D+01
                16            17            18            19            20 
      1   0.262233D+01  0.611351D+01 -0.117353D+01  0.313674D+01 -0.100295D+00
      2  -0.215736D+02 -0.185077D+01  0.298394D+01 -0.216882D+02 -0.767387D+01
      3  -0.436912D+01 -0.919886D+01  0.226406D+01  0.102547D+02 -0.301348D+02
                21            22            23            24            25 
      1  -0.676633D+00 -0.436540D+00  0.391285D+01 -0.287297D+01  0.448741D+01
      2   0.859826D+00 -0.110126D+02 -0.146721D+01 -0.125730D+01 -0.165371D+02
      3   0.160490D+01  0.346308D+01  0.215207D+01 -0.146358D+00  0.339945D+01
                26            27            28            29            30 
      1   0.155686D+01  0.255750D+01  0.235262D+01  0.601277D+00 -0.340544D+00
      2  -0.599690D+01  0.182872D+01  0.271468D+02  0.354068D+01  0.116308D+01
      3   0.470993D+01  0.242394D+01  0.109804D+02  0.675508D+01 -0.695860D+00
                31            32            33            34            35 
      1   0.567690D+01 -0.598487D+01  0.316238D+01 -0.172937D+01  0.140870D+02
      2   0.390282D+01 -0.649320D-01  0.403886D-01 -0.141292D+02 -0.830489D+00
      3   0.278222D+02  0.396917D+01  0.212755D+01 -0.329039D+01 -0.111618D+01
                36            37            38            39            40 
      1  -0.242613D+01  0.196413D+01 -0.507773D+01 -0.593633D+01 -0.314582D+01
      2   0.123096D+01  0.320631D+01  0.284693D+00  0.306165D+01  0.337748D+01
      3  -0.184136D+00  0.281115D+02  0.130015D+01 -0.505139D+00 -0.299993D+01
                41            42            43            44            45 
      1   0.535819D+01 -0.105301D+01 -0.153348D+02  0.744571D+01  0.139881D+01
      2   0.204807D+01  0.895860D+00 -0.828742D+01  0.672896D+01  0.702885D+00
      3   0.244020D+01 -0.161962D+01 -0.636308D+00 -0.206543D+01  0.642792D+01
                46            47            48            49            50 
      1  -0.499013D+01  0.176066D+00  0.573783D+01 -0.195898D+01 -0.390095D+01
      2  -0.908845D+01 -0.140532D+01  0.752161D+00 -0.144710D+01 -0.108549D+01
      3  -0.485602D+02 -0.326473D+02  0.607324D+01 -0.718875D+01 -0.227799D+02
                51            52            53            54            55 
      1  -0.397432D+01  0.826345D+01 -0.401372D+01 -0.269727D+01 -0.148144D+01
      2   0.114280D+01 -0.158660D+02  0.149715D+01  0.295203D+00 -0.599059D+01
      3   0.304747D+01  0.758349D+01  0.611418D+01 -0.666875D+01 -0.286531D+02
                56            57            58            59            60 
      1  -0.524602D+01  0.592960D+01  0.994449D+00 -0.309137D+01 -0.309621D+01
      2  -0.374800D+01 -0.567668D+01 -0.341687D+01 -0.303443D+01  0.392156D+01
      3  -0.327136D+02  0.462054D+01 -0.140356D+01 -0.260631D+02  0.158103D+01
                61            62            63            64            65 
      1   0.584537D+01 -0.157114D+01 -0.572340D+00  0.469320D+00  0.704803D+00
      2  -0.213558D+02  0.561804D+01  0.125294D+01 -0.291480D+00 -0.374854D+00
      3   0.364180D+01  0.554288D+01 -0.109442D+02 -0.972620D+00  0.136520D+01
                66            67            68            69            70 
      1   0.585367D+00 -0.421335D+00  0.172560D+01 -0.340600D+01  0.486288D+00
      2  -0.767540D-01 -0.700760D+00  0.860126D+00 -0.113606D+01 -0.219274D+01
      3   0.295666D-01  0.540798D+01  0.428166D+01 -0.524624D+00 -0.944474D-01
                71            72            73            74            75 
      1   0.200206D+01 -0.214541D+00 -0.218360D+00 -0.122174D+01 -0.232205D+01
      2   0.118640D+01  0.741394D-02  0.372881D+01  0.136838D+01  0.172228D+01
      3  -0.609880D+00 -0.767908D+00  0.971954D+01  0.217320D+00 -0.877831D+00
                76            77            78            79            80 
      1  -0.147500D+01 -0.203470D+01 -0.265367D+01  0.278205D+01  0.122500D+01
      2   0.167282D+01  0.150687D+01  0.221054D+01 -0.338568D+01  0.117740D+00
      3   0.175693D+01 -0.128064D+01 -0.812815D-01 -0.179203D+01  0.144785D+00
                81            82            83            84            85 
      1  -0.152234D+00 -0.118642D+01  0.149280D+01  0.125460D+01  0.361824D+00
      2  -0.542847D+00 -0.890032D+00  0.870512D+00  0.623770D+00  0.678338D+00
      3  -0.981074D+00 -0.514242D+01  0.281388D+01  0.492842D-01  0.536474D+01
                86            87            88            89            90 
      1  -0.412357D+01 -0.451745D+01 -0.129292D+01  0.247722D+01  0.288210D+00
      2  -0.126714D+01 -0.815852D+00 -0.550045D+00 -0.862308D+00  0.256354D+00
      3  -0.385726D+01  0.659646D+00  0.536620D+00  0.364101D+00  0.889503D+00
                91            92            93            94            95 
      1  -0.213326D+00  0.131037D+01 -0.162480D+00 -0.117216D+01 -0.539762D-01
      2  -0.207335D+02 -0.225467D+01 -0.106689D+02  0.626773D+00  0.879264D+01
      3   0.139626D+01 -0.437966D+00 -0.101435D+01  0.179350D+02 -0.699906D+01
                96            97            98            99           100 
      1  -0.334800D+01 -0.246546D+01  0.372640D+01  0.356203D+01  0.790773D+00
      2  -0.204843D+01 -0.382494D+02 -0.608940D+01 -0.668486D+01 -0.305221D+01
      3  -0.134789D+02 -0.559464D+00 -0.120220D+02  0.609195D+01  0.113486D+02
               101           102           103           104           105 
      1  -0.341697D+01  0.410471D+01 -0.138294D+01 -0.396730D+01  0.620009D+01
      2   0.466930D+01  0.176274D+02  0.138466D+01 -0.908710D+01  0.575356D+01
      3  -0.172554D+02 -0.686797D+01 -0.114034D+02  0.115239D+01  0.146775D+02
               106           107           108           109           110 
      1   0.615239D+00  0.106971D+02  0.171075D+01 -0.377038D+01 -0.180342D+01
      2   0.880771D+01  0.999226D+01  0.151118D+02  0.207377D+02  0.283198D+01
      3  -0.516600D+01  0.104054D+02 -0.155238D+02  0.614423D+00  0.142203D+02
               111           112           113           114           115 
      1   0.414865D+01 -0.119996D+02 -0.374098D+01 -0.171436D+02  0.319820D+01
      2   0.391627D+01 -0.608285D+00  0.625995D+00 -0.202508D+01  0.180199D+02
      3  -0.193972D+00  0.122751D+02  0.759866D+01  0.300995D+01  0.375044D-01
               116           117           118           119           120 
      1  -0.471541D+01  0.163363D+01 -0.889827D+00 -0.137248D+01  0.477506D+00
      2  -0.110583D+01  0.269894D+01 -0.270490D+01 -0.470839D+00  0.592501D+01
      3   0.339041D+01 -0.563871D+00 -0.729118D+01 -0.587971D+01  0.195949D+01
               121           122           123           124           125 
      1  -0.313413D+00 -0.259401D+01  0.563459D+00  0.356962D+00  0.286320D+01
      2   0.756892D+00 -0.536850D+01  0.579621D+01  0.576902D+01  0.509226D+01
      3  -0.193863D+01 -0.953390D+01  0.737057D+01  0.182815D+01  0.839356D+01
               126           127           128           129           130 
      1  -0.100944D+01 -0.130879D+01  0.148989D+01 -0.290584D+01  0.397823D+00
      2  -0.929548D+01 -0.780434D+01 -0.297801D+01 -0.991972D+01 -0.287340D+00
      3  -0.661463D+01  0.417600D+01  0.476848D+01  0.619912D+01  0.351510D+01
               131           132           133           134           135 
      1  -0.552789D-01 -0.231542D+01 -0.189053D+01  0.119137D+01 -0.792568D+01
      2  -0.418003D+01 -0.533086D+01 -0.674819D+01 -0.846433D+01 -0.263444D+02
      3   0.442246D+01  0.468419D+01  0.312595D+01  0.629142D+01  0.127665D+02
               136           137           138           139           140 
      1   0.205758D+01  0.140320D+01 -0.226489D+01  0.410282D+00  0.827926D+01
      2   0.221013D+01 -0.722418D+00 -0.209097D+01 -0.787028D+00  0.582325D+01
      3   0.515599D+01  0.510541D+01 -0.173855D+01  0.380747D+01  0.183110D+02
               141           142           143           144           145 
      1  -0.720298D+01 -0.590986D+00 -0.519976D+01  0.722816D+01  0.198390D+00
      2  -0.538624D+01 -0.193902D+01 -0.568305D+01  0.599735D+01  0.720099D+01
      3  -0.746790D+01 -0.186776D+01 -0.117091D+02  0.858912D+01 -0.730839D+01
               146           147           148           149           150 
      1  -0.170191D+01  0.188550D+01 -0.123750D+01  0.773624D+00 -0.132489D+01
      2  -0.523050D+00  0.541824D+01 -0.994462D+00  0.187658D+01 -0.588859D+00
      3  -0.591905D+01  0.692978D-01 -0.159625D+01  0.782426D+00 -0.129788D+01
               151           152           153           154           155 
      1   0.133946D+01 -0.481464D+00 -0.489093D+00  0.328504D+01  0.159370D+01
      2   0.249997D+01 -0.169040D+01 -0.244784D+01 -0.910536D+01 -0.551033D-01
      3   0.103179D+01 -0.112194D+01  0.732594D+00 -0.628822D+01 -0.237245D+02
               156           157           158           159           160 
      1  -0.399217D+01  0.866821D+01  0.251533D+01  0.112765D+01 -0.194553D+01
      2   0.211073D+02  0.235191D+01 -0.118867D+01  0.364572D+01  0.943316D+01
      3  -0.101893D+01 -0.157289D+02 -0.106514D+02 -0.198997D+01 -0.516492D+00
               161           162           163           164           165 
      1   0.328897D+01 -0.167700D+00  0.404494D+01  0.164718D+01  0.951150D+00
      2   0.325875D+01  0.204587D+01 -0.722719D+01 -0.262676D+01  0.281636D+00
      3  -0.268607D+01 -0.214833D+01 -0.303600D+01 -0.340802D+01  0.443517D+00
               166           167           168           169           170 
      1   0.392182D+01 -0.209265D+00  0.487662D+01  0.222364D+01  0.748165D+01
      2  -0.244604D+01  0.592401D+01  0.724534D-01 -0.101951D+02  0.602020D+00
      3   0.241341D+01  0.486883D+00 -0.566618D+01  0.969489D+00 -0.224090D+01
               171           172           173           174           175 
      1  -0.167371D+01 -0.461769D+01 -0.143796D+01 -0.166498D+01 -0.473983D+01
      2   0.217408D+02  0.192918D+02  0.129505D+01 -0.441007D+01  0.303763D+01
      3   0.233612D+00  0.248606D+01  0.154791D+01  0.202056D+00  0.461045D+01
               176           177           178           179           180 
      1   0.715285D-01 -0.263419D+01 -0.160904D+01 -0.878852D+00 -0.627265D+00
      2   0.183832D+01 -0.735198D+00 -0.455943D+00  0.482731D+00  0.118697D+01
      3  -0.403005D-01 -0.773405D+00  0.399830D+00  0.984805D+00  0.201564D+00
               181           182           183           184           185 
      1  -0.434477D+00  0.339951D+01 -0.650092D+01 -0.240997D+01 -0.407790D-01
      2   0.609844D+00  0.204819D+01  0.819683D+01 -0.565816D+01  0.229489D+01
      3   0.167458D+02  0.278798D+01 -0.217254D+01 -0.141419D+02  0.773888D+01
               186           187           188           189           190 
      1  -0.112371D+01 -0.114420D+02  0.601349D+01  0.202904D+01  0.216949D+01
      2   0.471647D+01 -0.385699D+01  0.100259D+02 -0.374743D+01 -0.128489D+02
      3  -0.238846D+00  0.159938D+01 -0.306460D+01 -0.420583D+00  0.448483D+01
               191           192           193           194           195 
      1   0.712556D+01  0.136719D+01  0.565286D+01  0.588361D+01  0.292230D+01
      2  -0.403847D+00  0.423271D+01  0.309427D+01 -0.212267D+01 -0.943246D+00
      3   0.182398D+02 -0.328810D+01  0.375788D+02  0.397550D+01 -0.451041D+01
               196           197           198           199           200 
      1  -0.530887D+00  0.118083D+02 -0.162113D+01  0.515730D+00 -0.636792D+01
      2   0.434356D+01 -0.367700D+01 -0.241554D+01  0.148539D+02 -0.141002D+01
      3  -0.598609D+01 -0.366161D+01 -0.357728D+00  0.172795D+02 -0.361862D+02
               201           202           203           204           205 
      1  -0.225413D-01 -0.541551D+00 -0.333918D+01 -0.363125D+01  0.611458D+01
      2   0.142581D+01  0.327749D+01 -0.183882D+01 -0.614736D+01 -0.200667D+02
      3   0.296446D+01  0.256595D+01 -0.100477D+02  0.287947D+01  0.194164D-01
               206           207           208           209           210 
      1   0.295936D+01 -0.114455D+01 -0.183313D+01 -0.638870D+01 -0.155314D+01
      2  -0.161137D+02  0.469596D+01  0.439053D+01 -0.125261D+01  0.128373D+02
      3   0.758666D+01  0.847828D+01 -0.137158D+01 -0.382793D+02  0.322905D+01
               211           212           213           214           215 
      1  -0.657007D-02  0.448765D+00 -0.488435D+01 -0.191716D+01 -0.950934D+00
      2  -0.802934D+00  0.923237D+00  0.701645D+01 -0.691589D+01 -0.125481D+01
      3  -0.104053D+01  0.122284D+02 -0.129782D+01  0.211756D+01  0.385405D+01
               216           217           218           219           220 
      1   0.110011D+01 -0.125251D+01  0.256078D+01  0.126818D+01  0.396283D+01
      2  -0.114073D+01 -0.622270D+01 -0.425581D+01 -0.193505D+01 -0.534659D+01
      3   0.212063D+01 -0.323486D+02  0.114140D+02  0.661777D+01  0.265014D+02
               221           222           223           224           225 
      1   0.342081D+01  0.441920D+01  0.996325D+01  0.642664D+01 -0.717108D-01
      2  -0.444556D+01 -0.397474D+02 -0.173575D+02 -0.284270D+02  0.135364D+02
      3   0.219073D+02  0.212033D+01  0.599022D+01  0.199102D+01  0.294434D+02
               226           227           228           229           230 
      1  -0.364266D+00  0.449681D+00  0.121408D+01 -0.211056D+00  0.381114D+00
      2  -0.569610D+00  0.142741D+00  0.367363D+00  0.550358D+00 -0.183923D+01
      3  -0.735968D+01  0.553810D+01  0.182011D+00  0.564088D+01 -0.197968D+02
               231           232           233           234           235 
      1  -0.445179D+01 -0.433938D+00  0.253938D+01  0.164999D+00  0.150074D+01
      2   0.638775D+00 -0.153652D+00 -0.583028D-01 -0.596162D-01 -0.187713D+01
      3   0.167123D+01  0.401015D+00  0.101013D+01  0.228477D+00  0.376220D+01
               236           237           238           239           240 
      1   0.184563D+00 -0.188789D+01  0.689678D+00 -0.675282D-01 -0.275312D+01
      2  -0.129409D+01  0.204553D+01 -0.207061D+01 -0.230992D+01  0.348726D+01
      3  -0.447104D+01 -0.802528D-01 -0.490410D+01 -0.114443D+02  0.161428D+01
               241           242           243           244           245 
      1   0.207989D+01  0.100786D+01  0.117650D+00 -0.203485D+00  0.581503D+00
      2  -0.265850D+01  0.580515D+00 -0.294354D+00 -0.795133D-01  0.653836D+00
      3  -0.201084D-01  0.159880D+01 -0.120490D+01  0.358959D+01 -0.352295D+01
               246           247           248           249           250 
      1   0.126486D+01  0.406541D+00 -0.416620D+00 -0.390946D+01  0.736008D-01
      2   0.134596D+01  0.184679D+00  0.583667D+00 -0.323630D+01 -0.199794D+01
      3  -0.321894D+00 -0.229526D+01  0.200995D+02 -0.125011D+01 -0.165746D+00
               251           252           253           254           255 
      1   0.179904D+01  0.503737D-01 -0.745957D+00  0.272691D+00  0.924874D+00
      2   0.223714D+00  0.176495D+00 -0.674461D+01  0.670737D+00 -0.268088D+01
      3  -0.185826D+01 -0.105690D+00 -0.145843D+01  0.883982D+00 -0.120016D+01
               256           257           258           259           260 
      1  -0.279916D+00 -0.124124D+01 -0.184161D+01 -0.141393D+01  0.210366D+01
      2  -0.378727D+01 -0.105148D+02  0.174890D+02  0.117092D+02  0.165006D+02
      3  -0.752562D+01 -0.166697D+02  0.121623D+02  0.499290D+01  0.130229D+02
               261           262           263           264           265 
      1   0.339585D+01 -0.365788D+00 -0.366795D+00 -0.229503D+00 -0.222228D+01
      2  -0.366113D+02  0.918787D+01  0.320707D+01  0.170447D+01  0.728835D+01
      3  -0.182374D+02 -0.498148D+01 -0.297742D+01 -0.241548D+01 -0.130039D+02
               266           267           268           269           270 
      1  -0.261889D+01 -0.433426D+01 -0.322012D+01 -0.952153D+00 -0.506291D+01
      2   0.122263D+02  0.168146D+02  0.116739D+02  0.159760D+02  0.215314D+02
      3  -0.247745D+02 -0.125258D+02 -0.865955D+01 -0.160100D+02 -0.160950D+02
               271           272           273           274           275 
      1   0.174416D+01 -0.109863D+01  0.926258D-01 -0.138194D+01  0.863324D+00
      2   0.141349D+00  0.442376D+00  0.857901D+01  0.865978D+00  0.374884D+00
      3   0.227148D+02 -0.130409D+02 -0.216039D+01 -0.158891D+02  0.124663D+02
               276           277           278           279 
      1  -0.895231D+00 -0.111076D+01  0.344045D+00  0.159379D+00
      2  -0.276877D+01  0.866635D+01  0.255473D+00 -0.228312D+01
      3   0.820621D+00 -0.207147D+01  0.173885D+00  0.679813D-03
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.917353D+02 -0.459693D+02  0.110542D+02  0.892897D+02 -0.508491D+01
      2   0.522262D+02  0.280871D+02 -0.817907D+01 -0.444006D+02  0.889604D+01
      3   0.395091D+02  0.178822D+02 -0.287518D+01 -0.448891D+02 -0.381113D+01
      4  -0.425866D+02  0.307089D+01  0.243078D+01 -0.378950D+01  0.824032D+01
      5   0.130419D+02  0.196722D+01 -0.291975D+01  0.261158D+01  0.164934D+01
      6   0.817845D+00 -0.456247D+01 -0.868855D-02  0.361931D+01  0.207083D+01
                 6             7             8             9            10 
      1  -0.931591D+01  0.167566D+01  0.469107D+01 -0.104294D+02  0.763775D+02
      2   0.351938D+01 -0.256785D+01 -0.386705D+01 -0.257010D+00 -0.299178D+02
      3   0.579653D+01  0.892189D+00 -0.824017D+00  0.106864D+02 -0.464597D+02
      4  -0.308632D+00  0.493594D+01 -0.157711D+00 -0.415635D+00  0.371078D+01
      5  -0.155987D+01 -0.609303D+00  0.142751D+01  0.295635D+01 -0.102223D+02
      6  -0.940593D+00 -0.305077D+01  0.383654D+01  0.207806D+01  0.379082D+00
                11            12            13            14            15 
      1  -0.117928D+02 -0.789053D+01 -0.104902D+03 -0.287214D+02  0.117672D+02
      2   0.848025D+01  0.144243D+01  0.489448D+02  0.240166D+02 -0.831807D+01
      3   0.331250D+01  0.644810D+01  0.559572D+02  0.470480D+01 -0.344917D+01
      4   0.270591D+01 -0.184215D+01 -0.207645D+02 -0.151257D+02  0.237440D+01
      5  -0.533891D+00 -0.896633D+01 -0.428221D-01 -0.283848D+00  0.107410D+01
      6  -0.808357D+00 -0.104866D+00 -0.164873D+01 -0.568180D+01 -0.179444D+01
                16            17            18            19            20 
      1   0.760073D+00  0.323392D+01 -0.948033D+01  0.578105D+02  0.521176D+02
      2  -0.269572D+01 -0.229397D+01 -0.474146D+00 -0.350354D+02 -0.363110D+02
      3   0.193565D+01 -0.939940D+00  0.995448D+01 -0.227751D+02 -0.158067D+02
      4   0.143687D+01  0.203215D+01 -0.232846D+01  0.401668D+02 -0.750038D+01
      5   0.174117D+00 -0.193802D+01  0.408282D+01 -0.923008D+01 -0.398137D+01
      6  -0.168311D+01  0.485366D+01  0.597273D+00 -0.477621D+00  0.106557D+02
                21            22            23            24            25 
      1  -0.148297D+02 -0.118599D+02  0.220007D+02 -0.719880D+01 -0.647520D+01
      2   0.844050D+01  0.166619D+02 -0.263300D+02  0.351584D+01 -0.393366D+00
      3   0.638920D+01 -0.480200D+01  0.432936D+01  0.368296D+01  0.686857D+01
      4  -0.353659D+01  0.160515D+02  0.138798D+01 -0.123592D+01 -0.108179D+02
      5  -0.124010D+01 -0.396079D+01 -0.105527D+01 -0.519668D+01  0.745742D+01
      6  -0.786155D+00 -0.268901D+01  0.788652D+01  0.515612D+01  0.554247D+00
                26            27            28            29            30 
      1  -0.162984D+02 -0.535375D+01  0.117937D+02 -0.190384D+01  0.856312D+01
      2   0.948356D+01 -0.527597D+01 -0.187460D+02  0.463303D+01 -0.324387D+01
      3   0.681483D+01  0.106297D+02  0.695233D+01 -0.272918D+01 -0.531925D+01
      4  -0.104631D+01 -0.336265D+01 -0.835226D+01  0.103992D+02 -0.140408D+01
      5  -0.779742D+01  0.392784D+01  0.783817D+01 -0.183142D+01  0.731674D+01
      6   0.843853D+01  0.321526D+01  0.185932D+01 -0.470548D+01  0.156084D+01
                31            32            33            34            35 
      1  -0.335367D+02 -0.674453D+02  0.968820D+01  0.137319D+02  0.103161D+02
      2   0.274013D+02  0.578543D+02 -0.105894D+02 -0.774727D+00 -0.750568D+01
      3   0.613534D+01  0.959095D+01  0.901181D+00 -0.129571D+02 -0.281040D+01
      4  -0.372432D+02  0.600406D+01 -0.185572D+01  0.807042D+01 -0.375800D+01
      5   0.887720D+01  0.917388D+00 -0.134125D+00  0.231805D+02  0.475369D+01
      6   0.866880D+00 -0.165100D+02 -0.939088D+00 -0.477250D+00  0.582879D+01
                36            37            38            39            40 
      1  -0.673216D+01 -0.117745D+02 -0.659893D+02  0.114608D+02  0.298414D+02
      2  -0.637365D+01  0.502441D+01  0.503881D+02 -0.313209D+01 -0.293537D+02
      3   0.131058D+02  0.675007D+01  0.156012D+02 -0.832871D+01 -0.487614D+00
      4  -0.449579D+00 -0.109488D+02 -0.649941D+01  0.497109D+01  0.123992D+02
      5  -0.221715D+01 -0.120442D+01  0.902126D+01  0.529875D+01  0.863103D+00
      6   0.684758D+00  0.640574D+01 -0.919124D+01  0.125742D+02  0.425860D+01
                41            42            43            44            45 
      1   0.426427D+02 -0.608393D+01  0.548308D+01  0.700884D+01 -0.157570D+02
      2  -0.383302D+02  0.714586D+01  0.722766D+01 -0.154525D+00 -0.100544D+01
      3  -0.431255D+01 -0.106193D+01 -0.127107D+02 -0.685432D+01  0.167624D+02
      4  -0.172565D+02  0.364254D+01  0.961445D+01  0.535433D+01  0.766071D+01
      5   0.925107D+00  0.484138D+01  0.161598D+02  0.438233D+01 -0.597993D+01
      6   0.130291D+02 -0.120929D+01  0.181039D+02  0.963956D+01 -0.762513D+01
                46            47            48            49            50 
      1   0.224402D+02  0.508118D+02 -0.139854D+02 -0.110152D+02  0.462781D+01
      2  -0.159801D+02 -0.364212D+02  0.465683D+01  0.964296D+01 -0.143471D+02
      3  -0.646006D+01 -0.143906D+02  0.932856D+01  0.137224D+01  0.971928D+01
      4   0.284935D+01 -0.942554D+01  0.264610D+00  0.739827D+01  0.116539D+02
      5   0.967049D+01 -0.182285D+01 -0.132616D+01  0.180867D+01 -0.114791D+01
      6  -0.147083D+01  0.129721D+02 -0.118858D+02 -0.234613D+01  0.513642D+01
                51            52            53            54            55 
      1  -0.107245D+01 -0.414169D+01 -0.670543D+01 -0.221664D+02  0.116806D+02
      2   0.500759D+01  0.627591D+00  0.143634D+02  0.100956D+02 -0.140166D+02
      3  -0.393514D+01  0.351410D+01 -0.765799D+01  0.120708D+02  0.233599D+01
      4  -0.167815D+01 -0.136124D+01  0.242531D+01 -0.346536D+01  0.326165D+02
      5  -0.785494D-01  0.386468D+01  0.105071D-01  0.410442D+01 -0.119869D+02
      6   0.909535D+01 -0.546491D+01  0.220005D+02 -0.481672D+01 -0.265584D+01
                56            57            58            59            60 
      1   0.539703D+02 -0.101400D+02  0.331661D+01  0.234747D+02 -0.415838D+01
      2  -0.340602D+02  0.444149D+01  0.809659D+00 -0.247478D+02  0.415362D+01
      3  -0.199101D+02  0.569855D+01 -0.412627D+01  0.127310D+01  0.476261D-02
      4  -0.366637D+02 -0.503429D+00  0.299718D+02  0.151511D+02 -0.135666D+01
      5  -0.118545D+01 -0.109201D+02 -0.430442D+01 -0.182779D+00  0.583556D+01
      6   0.436991D+01 -0.966294D+01 -0.133272D+01  0.542549D+01  0.848802D+01
                61            62            63            64            65 
      1  -0.357832D+01 -0.992518D+01 -0.202420D+02  0.172535D+01 -0.280845D+00
      2   0.245878D+01  0.102468D+02  0.709567D+01  0.149135D+01 -0.124464D+01
      3   0.111954D+01 -0.321573D+00  0.131463D+02 -0.321669D+01  0.152549D+01
      4  -0.529298D+01  0.813345D+01  0.122968D+02 -0.715458D+01  0.935621D+01
      5   0.149317D+01  0.137613D+02  0.173793D+01 -0.247825D+01  0.155903D+01
      6   0.416772D-01  0.202831D+02  0.325994D+00  0.190506D+01 -0.158032D+01
                66            67            68            69            70 
      1  -0.650610D+00  0.406942D+01 -0.212408D+02 -0.670904D-01 -0.253291D+01
      2   0.263431D+00 -0.753675D+01  0.272164D+02  0.433636D-01  0.178526D+01
      3   0.387178D+00  0.346733D+01 -0.597555D+01  0.237268D-01  0.747648D+00
      4   0.541997D+00  0.124448D+02 -0.180121D+02 -0.284010D+00  0.490704D+00
      5   0.928780D+00  0.147860D+01 -0.419224D+00 -0.214927D+01  0.598338D+00
      6  -0.637781D+00 -0.231484D+01  0.430122D+01  0.487220D+01 -0.214962D+01
                71            72            73            74            75 
      1   0.239757D+01 -0.305071D+01  0.509963D+01 -0.355429D+01  0.135806D+01
      2  -0.212011D+01  0.313926D+01  0.486875D+01  0.109122D+02 -0.125462D+01
      3  -0.277462D+00 -0.885440D-01 -0.996837D+01 -0.735792D+01 -0.103440D+00
      4   0.670666D+00 -0.880138D+00  0.283649D+02  0.238760D+02 -0.533479D+01
      5   0.635652D-01 -0.944483D-01 -0.881288D+01 -0.554966D+01  0.547934D+01
      6   0.234027D+01 -0.428425D+00 -0.763185D+01 -0.696856D+01  0.468427D+01
                76            77            78            79            80 
      1  -0.780848D+01 -0.146409D+02  0.408444D+01 -0.241466D+00  0.244236D+01
      2   0.166169D+02  0.253318D+02 -0.387378D+01 -0.267571D+01 -0.310276D+01
      3  -0.880842D+01 -0.106909D+02 -0.210657D+00  0.291718D+01  0.660407D+00
      4   0.273054D+02  0.308922D+02 -0.600394D+01 -0.662286D+01 -0.558955D+01
      5  -0.597190D+01 -0.641618D+01  0.460546D+01  0.202027D+01  0.366902D+01
      6  -0.892892D+01 -0.108782D+02  0.711189D+01  0.833952D+00  0.474088D+01
                81            82            83            84            85 
      1  -0.699933D+00 -0.518481D+01  0.967712D+01 -0.407607D+00  0.660936D+01
      2   0.159473D+01  0.805679D+01 -0.137947D+02  0.492784D+00 -0.815432D+01
      3  -0.894795D+00 -0.287198D+01  0.411761D+01 -0.851766D-01  0.154497D+01
      4   0.390652D+01 -0.522755D+01  0.132450D+02 -0.122200D+01  0.782620D+01
      5  -0.188775D+01  0.156302D+01 -0.260759D+01  0.204330D+01 -0.156659D+01
      6  -0.241975D+01 -0.172356D+01  0.203917D+01 -0.205080D+01  0.212709D+01
                86            87            88            89            90 
      1  -0.538917D+02  0.593340D+01 -0.257681D+00  0.412284D+01 -0.238094D+01
      2   0.722457D+02 -0.565300D+01  0.765213D+00 -0.500960D+01  0.283124D+01
      3  -0.183539D+02 -0.280403D+00 -0.507532D+00  0.886756D+00 -0.450300D+00
      4  -0.147650D+02  0.161619D+01 -0.873316D+00 -0.370447D+00 -0.154962D+01
      5   0.476602D+01 -0.151489D+01  0.971894D+00 -0.166957D+01  0.175821D+00
      6  -0.140354D+02  0.913389D+01  0.750586D+00  0.460189D+01 -0.147837D+01
                91            92            93            94            95 
      1  -0.324653D+02 -0.192322D+02 -0.114816D+02 -0.109250D+02 -0.120026D+01
      2   0.268128D+02  0.162126D+02  0.574858D+01  0.116075D+02  0.785890D+00
      3   0.565247D+01  0.301960D+01  0.573306D+01 -0.682563D+00  0.414366D+00
      4  -0.137045D+02 -0.122061D+02  0.176585D+01 -0.231861D+02  0.128882D+02
      5  -0.150371D+02  0.166196D+01 -0.249173D+02  0.612963D+01  0.275998D+02
      6   0.216760D+01  0.483695D+01  0.381174D+00  0.773083D+01 -0.417449D+01
                96            97            98            99           100 
      1   0.868299D+01 -0.280173D+02 -0.429089D+00 -0.199383D+02 -0.623327D+02
      2  -0.101230D+02  0.197927D+02 -0.481691D+01  0.134443D+02  0.343304D+02
      3   0.144005D+01  0.822455D+01  0.524599D+01  0.649400D+01  0.280023D+02
      4   0.272766D+02  0.908897D+00  0.219875D+02 -0.103623D+02  0.297746D+02
      5  -0.407400D+01 -0.420702D+02 -0.124753D+02 -0.484057D+00  0.303338D+02
      6  -0.960469D+01 -0.463125D+01 -0.318281D+01  0.678196D+01 -0.713103D+01
               101           102           103           104           105 
      1   0.271844D+02  0.281206D+02  0.830397D+01  0.606843D+01 -0.524923D+01
      2  -0.195442D+02 -0.593741D+01 -0.961502D+01 -0.563480D+01  0.199935D+02
      3  -0.764025D+01 -0.221832D+02  0.131106D+01 -0.433626D+00 -0.147443D+02
      4   0.106501D+02 -0.123834D+01  0.175145D+02 -0.159943D+02 -0.268746D+02
      5  -0.612579D+00  0.208059D+02  0.191086D+01 -0.283635D+02  0.706898D+01
      6  -0.407903D+01 -0.129978D+02 -0.755498D+01  0.145461D+02 -0.119806D+01
               106           107           108           109           110 
      1   0.193741D+02  0.559061D+00  0.387828D+02 -0.887447D+02 -0.132651D+02
      2  -0.697937D+01  0.157457D+02 -0.155107D+02  0.344395D+02  0.785088D+00
      3  -0.123947D+02 -0.163048D+02 -0.232721D+02  0.543052D+02  0.124800D+02
      4   0.218469D+01 -0.184446D+02  0.908290D+01 -0.237820D+02 -0.207060D+02
      5   0.150728D+02  0.153102D+02  0.137323D+02 -0.157647D+02 -0.629407D+01
      6  -0.847088D+01 -0.676355D+01 -0.153822D+02 -0.228985D+01 -0.319505D+01
               111           112           113           114           115 
      1  -0.835950D+01 -0.107745D+02 -0.833442D+01 -0.483472D+01  0.345413D+02
      2   0.179901D+01  0.100967D+01  0.690464D+01  0.101526D+01 -0.270674D+02
      3   0.656049D+01  0.976478D+01  0.142979D+01  0.381946D+01 -0.747385D+01
      4  -0.459895D+01  0.883002D+01 -0.848077D+01 -0.222133D+01 -0.369467D+01
      5  -0.625424D+01 -0.495861D+01 -0.319385D+01  0.269369D+00  0.313970D+02
      6  -0.194969D+01 -0.444775D+01 -0.289703D+00  0.297224D+01  0.670365D+01
               116           117           118           119           120 
      1   0.419969D+00  0.233707D+02  0.167880D+02  0.977194D+01 -0.638947D+01
      2  -0.215931D+01 -0.755449D+01 -0.125631D+02 -0.707730D+01  0.579703D+01
      3   0.173934D+01 -0.158162D+02 -0.422495D+01 -0.269464D+01  0.592444D+00
      4  -0.543308D+00  0.293156D+01  0.158426D+02  0.123540D+02 -0.548686D+01
      5   0.405987D+01  0.606950D+01 -0.163846D+02 -0.662116D+01  0.173754D+02
      6  -0.196294D+01 -0.113436D+01 -0.573365D+01 -0.319404D+01  0.301383D+01
               121           122           123           124           125 
      1   0.185705D+02  0.230653D+01 -0.129783D+01 -0.811341D+01 -0.596780D+00
      2  -0.120986D+02 -0.139422D+01  0.358449D+01  0.879946D+01  0.472396D+01
      3  -0.647191D+01 -0.912307D+00 -0.228666D+01 -0.686050D+00 -0.412719D+01
      4   0.152157D+02  0.199003D+02 -0.158933D+02 -0.723419D+01 -0.158738D+02
      5  -0.121365D+02 -0.166573D+02  0.144487D+02  0.242547D+02  0.137930D+02
      6  -0.504348D+01 -0.912844D+01  0.912187D+01  0.496971D+01  0.782990D+01
               126           127           128           129           130 
      1   0.224794D+01 -0.667213D+01 -0.980618D+01 -0.212450D+02 -0.196902D+01
      2  -0.110956D+02  0.616762D-01  0.631469D+01  0.431815D+01  0.124266D+01
      3   0.884763D+01  0.661045D+01  0.349149D+01  0.169269D+02  0.726362D+00
      4   0.134655D+02  0.368026D+00 -0.502257D+01 -0.476471D+00 -0.163370D+00
      5  -0.280385D+02 -0.505713D+01 -0.344237D+01 -0.921632D+01  0.589625D+00
      6  -0.850851D+01  0.443458D+01  0.590764D+01  0.107837D+02  0.151742D+01
               131           132           133           134           135 
      1  -0.110053D+02 -0.912886D+01 -0.129106D+02 -0.126441D+02 -0.397741D+02
      2   0.629669D+01  0.360192D+01  0.436737D+01  0.348583D+01 -0.171813D+01
      3   0.470858D+01  0.552694D+01  0.854323D+01  0.915831D+01  0.414922D+02
      4  -0.450154D+01 -0.454193D+01  0.663344D+01 -0.102668D+02 -0.113371D+02
      5  -0.436606D+01 -0.763424D+01  0.404108D+01 -0.154662D+02 -0.414282D+02
      6   0.724256D+01  0.122975D+02  0.112955D+01  0.155509D+02  0.296241D+02
               136           137           138           139           140 
      1   0.626074D+00 -0.975128D+01  0.118684D+01 -0.745829D+01 -0.175287D+02
      2   0.263492D+01  0.910493D+01 -0.316086D+01  0.296184D+01  0.316926D+02
      3  -0.326099D+01  0.646347D+00  0.197402D+01  0.449645D+01 -0.141639D+02
      4  -0.384565D+01 -0.291177D+01 -0.852507D+00  0.744400D+01 -0.282530D+02
      5   0.179294D+01  0.117482D+01 -0.458149D+01  0.126289D+01  0.125023D+02
      6  -0.145582D+01  0.528668D+00  0.349818D+01  0.996088D-01 -0.368377D+01
               141           142           143           144           145 
      1   0.565835D+01  0.515323D+01  0.705965D+01 -0.106821D+02  0.968225D+02
      2  -0.129067D+02 -0.211917D+01 -0.167083D+02  0.112614D+02 -0.491348D+02
      3   0.724836D+01 -0.303406D+01  0.964863D+01 -0.579292D+00 -0.476876D+02
      4   0.104033D+02 -0.762253D+01  0.204698D+02 -0.880586D+01 -0.520867D+02
      5  -0.113043D+02 -0.191937D+01 -0.108898D+02  0.138539D+02 -0.395309D+02
      6   0.744458D+01  0.134406D+01  0.616703D+01 -0.707764D+01  0.105313D+02
               146           147           148           149           150 
      1  -0.190072D+02 -0.145335D+02 -0.932228D+01  0.929157D+01  0.163762D+01
      2   0.563627D+01  0.982260D+01  0.823774D+00 -0.185745D+01 -0.161998D+01
      3   0.133709D+02  0.471088D+01  0.849850D+01 -0.743412D+01 -0.176434D-01
      4   0.247032D+02  0.104169D+02  0.180577D+02 -0.897958D+01 -0.116423D+01
      5   0.104886D+02  0.191138D+02  0.378407D+01 -0.261405D+01 -0.231972D+01
      6  -0.589546D+01 -0.581933D+01 -0.418450D+01  0.109684D+01  0.253008D+01
               151           152           153           154           155 
      1  -0.994920D+01  0.183795D+01  0.605366D+01  0.200938D+03  0.260463D+02
      2   0.783846D+01 -0.291671D+01 -0.557031D+01 -0.942701D+02 -0.913222D+01
      3   0.211074D+01  0.107876D+01 -0.483345D+00 -0.106668D+03 -0.169141D+02
      4   0.541591D+01 -0.704044D+00 -0.661720D+01  0.359470D+02  0.406556D+02
      5   0.172874D+02 -0.582658D+01 -0.103476D+02  0.394687D+02  0.763376D+01
      6  -0.460480D+01  0.330438D+01  0.388091D+01  0.962185D+00  0.495977D+01
               156           157           158           159           160 
      1   0.116341D+02  0.228212D+02  0.345005D+02  0.588566D+00  0.123762D+02
      2  -0.110152D+02 -0.622394D+01 -0.115837D+02 -0.630789D+00 -0.117727D+02
      3  -0.618946D+00 -0.165973D+02 -0.229168D+02  0.422231D-01 -0.603496D+00
      4   0.549782D+01  0.495370D+02  0.252391D+02  0.548056D+01  0.495268D+01
      5   0.373896D+02  0.480669D+01  0.914798D+01  0.522929D+01  0.412377D+02
      6   0.136555D+01  0.937553D+01  0.374420D+01  0.562829D+01  0.244876D+01
               161           162           163           164           165 
      1   0.135896D+01  0.247327D+02  0.508531D+02  0.563322D+01  0.193874D+02
      2  -0.132894D+01 -0.167193D+02 -0.351850D+02 -0.230168D+01 -0.112715D+02
      3  -0.300186D-01 -0.801338D+01 -0.156680D+02 -0.333155D+01 -0.811587D+01
      4   0.292971D+01  0.664672D+01  0.653062D+01  0.610656D+01 -0.943475D+00
      5   0.719246D+01  0.120932D+02  0.349216D+02 -0.407586D+00  0.186587D+02
      6   0.470228D+01  0.194795D+01  0.333704D+01  0.934349D+00  0.506156D+00
               166           167           168           169           170 
      1   0.990927D+01 -0.112225D+02 -0.411681D-01 -0.190316D+01 -0.220039D+01
      2  -0.571015D+01  0.354118D+01  0.547227D+00 -0.178623D+01  0.142000D+01
      3  -0.419912D+01  0.768134D+01 -0.506059D+00  0.368939D+01  0.780400D+00
      4   0.181862D+01 -0.240165D+01  0.938626D+01 -0.182260D+01  0.439046D+01
      5   0.356587D+01  0.837727D+01 -0.110496D+01  0.123589D+02 -0.153923D+00
      6   0.168875D+01  0.183772D+00  0.116000D+02 -0.173709D+01  0.990365D+01
               171           172           173           174           175 
      1  -0.322406D+02 -0.500125D+02 -0.195700D+01  0.131660D+01 -0.773803D+01
      2  -0.110345D+02  0.313371D+02  0.133973D+01  0.710016D+01  0.558715D+01
      3   0.432751D+02  0.186753D+02  0.617267D+00 -0.841676D+01  0.215088D+01
      4  -0.127460D+01 -0.349155D+01 -0.372768D+01  0.243211D+00  0.331053D+00
      5   0.373879D+02 -0.266326D+02  0.450809D+00 -0.158915D+02 -0.271164D+01
      6  -0.747696D+00 -0.298604D+01 -0.281905D+01  0.646761D-01 -0.858470D+00
               176           177           178           179           180 
      1  -0.349841D+01  0.584060D+00 -0.147548D+02 -0.882368D+00 -0.897052D+01
      2   0.221145D+01  0.891323D+00  0.142156D+02  0.902015D+00  0.582527D+01
      3   0.128696D+01 -0.147538D+01  0.539140D+00 -0.196473D-01  0.314525D+01
      4  -0.224255D+00  0.229175D+01 -0.166013D+01 -0.690235D+00 -0.183538D+00
      5   0.213256D+01 -0.227665D+01 -0.145757D+02  0.854423D-01 -0.578568D+01
      6  -0.934091D+00  0.241358D+01 -0.807593D+00  0.412786D+00 -0.906972D+00
               181           182           183           184           185 
      1  -0.744990D+00 -0.566524D+02  0.832377D+01  0.858783D+02  0.320204D+02
      2   0.335141D+01  0.391177D+02 -0.356762D+01 -0.611125D+02 -0.258543D+02
      3  -0.260642D+01  0.175347D+02 -0.475615D+01 -0.247658D+02 -0.616608D+01
      4  -0.254592D+02  0.414824D+02  0.407248D+01  0.262587D+02 -0.338896D+02
      5   0.122385D+02  0.493979D+01  0.152300D+02 -0.517353D+01  0.608561D+01
      6   0.568462D+01  0.738006D+00  0.113809D+02  0.422237D+01  0.495931D+01
               186           187           188           189           190 
      1  -0.942064D+01 -0.358821D+01  0.683780D+01  0.132457D+01  0.155645D+03
      2   0.804251D+01  0.713983D+01 -0.212533D+01 -0.925113D+01 -0.855376D+02
      3   0.137812D+01 -0.355162D+01 -0.471248D+01  0.792657D+01 -0.701078D+02
      4   0.388543D+01  0.755431D+01  0.314851D+01  0.154069D+02  0.781486D+01
      5   0.112762D+02  0.277916D+02  0.157141D+02 -0.766239D+01 -0.262220D+01
      6   0.261750D+01  0.153080D+02  0.862555D+01 -0.352040D+01  0.280507D+01
               191           192           193           194           195 
      1   0.282865D+02 -0.143785D+02 -0.286093D+02 -0.296060D+02  0.894847D+01
      2  -0.163987D+02  0.433746D+01  0.283078D+02  0.310001D+02 -0.997723D+01
      3  -0.118878D+02  0.100411D+02  0.301478D+00 -0.139405D+01  0.102876D+01
      4   0.324070D+02 -0.399487D+01 -0.267687D+02  0.598321D+02 -0.337003D+01
      5  -0.523112D+01  0.964349D+01  0.102375D+02 -0.631194D+01 -0.151841D+01
      6   0.221267D+01 -0.526151D+01  0.911115D+00 -0.426284D+01 -0.509990D+01
               196           197           198           199           200 
      1  -0.403141D+01  0.302509D+01  0.249960D+02 -0.113911D+03 -0.267876D+01
      2   0.135955D+01 -0.298142D+01 -0.227760D+02  0.495882D+02 -0.975488D+00
      3   0.267187D+01 -0.436759D-01 -0.222006D+01  0.643223D+02  0.365424D+01
      4   0.696430D+01 -0.926308D+01  0.510207D+00 -0.598752D+01 -0.348768D+02
      5   0.512755D+02  0.585937D+01 -0.607652D+01  0.114038D+02  0.125590D+01
      6  -0.217350D+01  0.444976D+01  0.357435D+01 -0.304430D+01  0.293013D+01
               201           202           203           204           205 
      1   0.891374D+01 -0.820847D+02 -0.835815D+01  0.514695D+01  0.209381D+02
      2  -0.372127D+01  0.529583D+02 -0.863590D+01 -0.130408D+01 -0.121659D+02
      3  -0.519246D+01  0.291264D+02  0.169941D+02 -0.384287D+01 -0.877216D+01
      4   0.124610D+01 -0.351685D+01 -0.183444D+02 -0.991515D+00 -0.194441D+01
      5   0.361521D+01  0.509574D+01  0.223498D+00 -0.132066D+02  0.377409D+01
      6   0.599461D+00 -0.381342D+01  0.429167D+01  0.794918D+01 -0.270752D+01
               206           207           208           209           210 
      1  -0.488061D+01 -0.196771D+02 -0.190096D+02 -0.336181D+02  0.100924D+02
      2   0.651609D+01  0.231097D+01  0.960837D+01  0.186436D+02 -0.103463D+01
      3  -0.163548D+01  0.173662D+02  0.940120D+01  0.149745D+02 -0.905776D+01
      4   0.283332D+01 -0.243899D+02 -0.270693D+02  0.758594D+01  0.490115D+01
      5  -0.262366D+02  0.101394D+02  0.346614D+01  0.496730D+01  0.237009D+02
      6   0.161858D+02 -0.713177D+00  0.797739D+00 -0.252867D+01  0.478384D+01
               211           212           213           214           215 
      1   0.156349D+01  0.118529D+02  0.140913D+01  0.438379D+01  0.195546D+01
      2  -0.546739D+01 -0.357695D+01  0.198228D+01 -0.110319D+01 -0.693756D+00
      3   0.390390D+01 -0.827596D+01 -0.339141D+01 -0.328060D+01 -0.126170D+01
      4   0.351494D+02 -0.170783D+02 -0.201623D+00 -0.778904D+00  0.172864D+00
      5  -0.360307D-01  0.190875D+01  0.116229D+02  0.624934D+01 -0.564492D+01
      6  -0.671905D+00  0.217520D+01  0.767794D+01 -0.306061D+01  0.391387D+01
               216           217           218           219           220 
      1  -0.111470D+01 -0.617544D+02  0.507760D+02 -0.732609D+00  0.553641D+02
      2   0.117119D+01  0.341537D+02 -0.273187D+02 -0.128663D+01 -0.270126D+02
      3  -0.564923D-01  0.276006D+02 -0.234573D+02  0.201924D+01 -0.283515D+02
      4  -0.649817D+01  0.505680D+02 -0.514052D+01 -0.134667D+02 -0.346525D+02
      5  -0.432728D+01  0.321888D-01 -0.141996D+02 -0.967815D+01 -0.164111D+02
      6  -0.138726D+01 -0.581300D+01 -0.635970D+00 -0.112023D+01 -0.101986D+01
               221           222           223           224           225 
      1  -0.115513D+02 -0.213691D+02 -0.290653D+01 -0.168034D+02  0.216724D+01
      2   0.500570D+01  0.179495D+01 -0.318440D+01  0.247847D+01  0.164384D+01
      3   0.654555D+01  0.195741D+02  0.609093D+01  0.143249D+02 -0.381108D+01
      4  -0.240600D+02 -0.101454D+02 -0.137775D+02 -0.985208D+01 -0.484439D+02
      5  -0.111190D+02 -0.751216D+02 -0.247034D+02 -0.501110D+02  0.222838D+02
      6  -0.124504D+01 -0.153700D+02 -0.955645D+01 -0.113878D+02  0.757803D+01
               226           227           228           229           230 
      1  -0.556701D+01  0.145114D+02 -0.494886D+00  0.555456D+01 -0.495008D+02
      2   0.661582D+01 -0.143226D+02  0.545874D+00 -0.493284D+01  0.618260D+02
      3  -0.104881D+01 -0.188810D+00 -0.509874D-01 -0.621719D+00 -0.123252D+02
      4   0.125869D+01  0.424892D+01 -0.761746D+00  0.271627D+01  0.194965D+02
      5   0.276866D+00 -0.109957D+01  0.122874D+01 -0.164620D+00  0.120852D+01
      6  -0.212783D+00 -0.233404D+00 -0.157046D+01  0.422878D+00 -0.299799D+01
               231           232           233           234           235 
      1   0.388086D+01  0.211572D+00  0.285075D+01 -0.190215D+01  0.386192D+02
      2  -0.387274D+01 -0.713192D-01 -0.381094D+01  0.254482D+01 -0.136753D+02
      3  -0.812501D-02 -0.140252D+00  0.960186D+00 -0.642669D+00 -0.249439D+02
      4  -0.124144D+01 -0.457655D+00 -0.229999D+01 -0.113282D+01  0.339454D+02
      5   0.180873D+01  0.171429D+01 -0.531134D+00 -0.132461D+00 -0.771048D+01
      6   0.700651D+01 -0.589218D-01  0.296571D+01 -0.754159D+00 -0.324772D+01
               236           237           238           239           240 
      1   0.143935D+02 -0.527486D+01  0.188238D+02  0.791151D+01 -0.214136D+01
      2  -0.114650D+01  0.206953D+01  0.149115D+01  0.106428D+02 -0.438509D+00
      3  -0.132470D+02  0.320533D+01 -0.203150D+02 -0.185543D+02  0.257987D+01
      4   0.258050D+02 -0.553565D+01  0.388792D+02  0.403584D+02 -0.725078D+01
      5  -0.398115D+01  0.446628D+01 -0.634282D+01 -0.487923D+01  0.582845D+01
      6  -0.244344D+01  0.237959D+01 -0.408431D+01 -0.458790D+01  0.488662D+01
               241           242           243           244           245 
      1  -0.701252D+01 -0.240719D+01 -0.194008D+00  0.137224D+01 -0.642796D+01
      2   0.158265D+01 -0.645760D+00  0.974856D+00  0.460785D+01 -0.226572D+01
      3   0.542987D+01  0.305294D+01 -0.780848D+00 -0.598009D+01  0.869368D+01
      4  -0.843463D+01 -0.707732D+01  0.344931D+01 -0.198254D+02  0.210783D+02
      5   0.376700D-01  0.230364D+01 -0.144374D+01  0.247503D+01 -0.137855D+01
      6   0.611408D-01  0.216443D+01 -0.119952D+01 -0.891440D+00  0.437204D-01
               246           247           248           249           250 
      1   0.959576D+00 -0.285342D+01 -0.152205D+02  0.950875D+00  0.494834D+00
      2  -0.469547D+00 -0.886826D+01  0.331140D+02 -0.786185D+00 -0.256985D-01
      3  -0.490029D+00  0.117217D+02 -0.178935D+02 -0.164690D+00 -0.469136D+00
      4  -0.290759D+00  0.286125D+02 -0.542357D+02  0.284951D+01 -0.842820D+00
      5   0.290215D+01 -0.298827D+01  0.609434D+01 -0.612928D+01  0.211184D+01
      6  -0.177000D+01  0.153809D+01 -0.317554D+01  0.637593D+01 -0.267949D+01
               251           252           253           254           255 
      1   0.214509D+01 -0.130947D+01  0.228891D+01  0.233894D+01 -0.143604D+02
      2  -0.227580D+01  0.267956D+01 -0.269133D+01 -0.119085D+01  0.572337D+01
      3   0.130709D+00 -0.137009D+01  0.402421D+00 -0.114809D+01  0.863704D+01
      4   0.319005D+01 -0.178214D+01  0.661165D+00  0.545909D-02 -0.183791D+01
      5  -0.792858D+00  0.272209D+00 -0.117411D+02 -0.123677D+01 -0.553940D+00
      6   0.279978D+01 -0.830341D+00 -0.225315D+01  0.346010D+00 -0.114865D+01
               256           257           258           259           260 
      1   0.973518D+01  0.259696D+01  0.809422D+00 -0.324470D+02 -0.156842D+00
      2  -0.593818D+01 -0.611990D+00  0.202853D+01  0.223230D+02  0.291543D+01
      3  -0.379701D+01 -0.198497D+01 -0.283796D+01  0.101240D+02 -0.275859D+01
      4   0.204749D+02  0.255159D+02 -0.208834D+02 -0.145226D+02 -0.202342D+02
      5  -0.131108D+02 -0.203646D+02  0.344958D+02  0.370289D+02  0.305602D+02
      6  -0.478072D+01 -0.850177D+01  0.119540D+02  0.800702D+01  0.110471D+02
               261           262           263           264           265 
      1   0.809777D+00  0.204181D+02  0.874384D+01  0.139344D+02  0.254645D+02
      2  -0.150809D+02 -0.896667D+01 -0.329339D+01 -0.673599D+01 -0.965942D+01
      3   0.142711D+02 -0.114514D+02 -0.545045D+01 -0.719845D+01 -0.158051D+02
      4   0.296274D+02  0.105619D+02  0.813727D+01  0.803013D+01  0.349666D+02
      5  -0.691382D+02  0.166938D+02  0.760803D+01  0.446680D+01  0.188804D+02
      6  -0.150286D+02  0.348849D+01  0.100275D+01 -0.467859D-01  0.462716D+01
               266           267           268           269           270 
      1   0.142958D+02  0.917593D+01  0.424084D+02  0.119933D+02  0.970716D+01
      2   0.258832D+00 -0.459484D+00 -0.207040D+02 -0.282916D+01 -0.695574D+01
      3  -0.145547D+02 -0.871645D+01 -0.217044D+02 -0.916415D+01 -0.275142D+01
      4   0.425929D+02  0.245185D+02  0.249332D+02  0.282291D+02  0.292621D+02
      5   0.256825D+02  0.328993D+02  0.311698D+02  0.308408D+02  0.428136D+02
      6   0.661522D+01  0.836271D+01  0.747772D+01  0.850760D+01  0.838038D+01
               271           272           273           274           275 
      1   0.184273D+03 -0.345411D+02 -0.118266D+02 -0.731764D+02  0.281807D+02
      2  -0.963213D+02  0.182261D+02  0.734869D+01  0.378524D+02 -0.133760D+02
      3  -0.879517D+02  0.163150D+02  0.447792D+01  0.353240D+02 -0.148047D+02
      4  -0.380828D+02  0.212277D+02  0.370932D+01  0.351293D+02 -0.241742D+02
      5  -0.163076D+02  0.405246D+01  0.175849D+02  0.797793D+01 -0.184623D+01
      6   0.344283D+01 -0.163700D+01 -0.754977D+00 -0.279231D+01  0.214668D+01
               276           277           278           279 
      1   0.592346D+01 -0.833318D+01  0.316450D+01  0.173809D+02
      2  -0.329571D+01  0.614127D+01 -0.144473D+01 -0.104822D+02
      3  -0.262775D+01  0.219191D+01 -0.171977D+01 -0.689873D+01
      4  -0.172876D+01  0.366516D+01  0.204251D+00 -0.967605D+00
      5  -0.598093D+01  0.254033D+02 -0.877085D+00 -0.609331D+01
      6   0.224351D+01 -0.104341D+01  0.262305D+01  0.543597D-01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.252723D+01      0.642359D+01      0.214268D+02
   x         -0.230106D+01     -0.584870D+01     -0.195092D+02
   y         -0.798511D+00     -0.202961D+01     -0.677006D+01
   z         -0.674119D+00     -0.171344D+01     -0.571542D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183934D+03      0.272562D+02      0.303267D+02
   aniso      0.155575D+03      0.230538D+02      0.256509D+02
   xx         0.281299D+03      0.416842D+02      0.463799D+02
   yx         0.106827D+02      0.158302D+01      0.176135D+01
   yy         0.160190D+03      0.237378D+02      0.264118D+02
   zx        -0.141450D+02     -0.209608D+01     -0.233220D+01
   zy        -0.467207D+01     -0.692329D+00     -0.770320D+00
   zz         0.110313D+03      0.163467D+02      0.181882D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.199817D+03      0.296099D+02      0.329454D+02
   aniso      0.167440D+03      0.248120D+02      0.276071D+02
   xx         0.304248D+03      0.450849D+02      0.501637D+02
   yx         0.133766D+02      0.198221D+01      0.220550D+01
   yy         0.174420D+03      0.258464D+02      0.287580D+02
   zx        -0.155064D+02     -0.229781D+01     -0.255666D+01
   zy        -0.523578D+01     -0.775862D+00     -0.863263D+00
   zz         0.120783D+03      0.178983D+02      0.199145D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.12338185          0.49223693          1.51340259
     6         -0.57995573         -2.10973974          1.49072385
     6          1.38431657          1.53007588         -0.60768762
     6          1.95138584          0.09165340         -2.69432204
     6          1.23879477         -2.49722436         -2.69400009
     6          0.02398726         -3.56186321         -0.68108160
     6         -0.46443182          1.94118218          3.67091306
     1          1.91688099          3.50406373         -0.53294683
     1          1.67820694         -3.63806347         -4.33636436
     1         -0.49392286         -5.54132006         -0.71992624
     6          3.20144364          1.16064163         -5.03218395
     6          4.86113506          3.49582807         -4.57506785
     6          1.30251913          1.82436108         -7.12837068
     1          4.39081065         -0.30670149         -5.86001094
     1          6.28716123          3.08905332         -3.14511231
     1          3.75084012          5.11317076         -3.94213027
     1          5.80306841          4.02667291         -6.32539185
     8          1.87455865          1.91154635         -9.31794983
     8         -1.06105881          2.41992648         -6.37312913
     1         -1.21435168          2.13615832         -4.56731732
     6         -1.68567915          0.90070802          5.70821738
     6         -2.37983872         -1.67912340          5.67349191
     6         -1.82876361         -3.14666237          3.59433155
     8         -3.59170753         -2.84492255          7.61544577
     6         -4.20423909         -1.42127325          9.80196737
     1          0.06311902          3.91859474          3.71059454
     1         -2.10780076          2.06561684          7.32877963
     1         -2.37251671         -5.11802203          3.60095123
     1         -5.48286378          0.13961957          9.35512387
     1         -2.50865707         -0.67879856         10.72108153
     1         -5.14867220         -2.72722381         11.07573807

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.252723D+01      0.642359D+01      0.214268D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.252723D+01      0.642359D+01      0.214268D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183934D+03      0.272562D+02      0.303267D+02
   aniso      0.155575D+03      0.230538D+02      0.256509D+02
   xx         0.138594D+03      0.205376D+02      0.228511D+02
   yx         0.176987D+02      0.262268D+01      0.291813D+01
   yy         0.157677D+03      0.233654D+02      0.259975D+02
   zx        -0.612247D+02     -0.907256D+01     -0.100946D+02
   zy        -0.840107D+01     -0.124491D+01     -0.138515D+01
   zz         0.255531D+03      0.378657D+02      0.421313D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.199817D+03      0.296099D+02      0.329454D+02
   aniso      0.167440D+03      0.248120D+02      0.276071D+02
   xx         0.150949D+03      0.223684D+02      0.248882D+02
   yx         0.181687D+02      0.269232D+01      0.299561D+01
   yy         0.170987D+03      0.253377D+02      0.281920D+02
   zx        -0.658177D+02     -0.975317D+01     -0.108519D+02
   zy        -0.742916D+01     -0.110089D+01     -0.122490D+01
   zz         0.277515D+03      0.411235D+02      0.457561D+02

 ----------------------------------------------------------------------
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 ON A TOMBSTONE, "HERE LIES LESTER MOORE,
 FOUR SLUGS FROM A 44, NO LES, NO MORE".
 Job cpu time:       1 days 20 hours 17 minutes 15.9 seconds.
 Elapsed time:       0 days  5 hours 32 minutes 25.2 seconds.
 File lengths (MBytes):  RWF=    750 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 02:50:21 2021.
